User profile: Henry Rzepa


ORCiD: 0000-0002-8635-8390

Current and past affiliations:
  • Imperial College London - Emeritus Professor of Computational Chemistry

Educational background:
  • Imperial College London - D. Sc.

Publications



Non-Octopus Publications


  • journal-article

    Mono- and Dicoordinate Germanium(0) as a Four-Electron Donor

    Chemistry - A European Journal

    Date added: 2018-1-26

  • journal-article

    A metadata-driven approach to data repository design

    Journal of Cheminformatics

    Date added: 2017-3-31

  • other

    7-zip Compression

    Imperial College London

    Date added: 2017-3-24

  • data-set

    Bradley-Mason prize for Op[en Chemistry

    Imperial College London

    Date added: 2017-6-20

  • data-set

    CH⋅⋅⋅π Interactions between methyl and carbonyl groups in proteins: a small molecule check.

    Imperial College London

    Date added: 2017-6-20

  • other

    Computation data for Total Synthesis of (+)-Lophirone H and its Pentamethylether Utilizing an Oxonium-Prins Cyclisation

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf5, wB97XD/Def2-TZVPP VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf6, wB97XD/Def2-TZVPP VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf7 wB97XD/Def2-TZVPP VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf7, wB97XD/Def2-TZVPP VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • other

    CrysAlis Pro Software

    Imperial College London

    Date added: 2017-3-24

  • data-set

    Examples of the Application of Java to Chemistry

    Imperial College London

    Date added: 2017-6-20

  • data-set

    Joshua cyclohexanone, Formed

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Joshua cyclohexanone, Formed imine

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Joshua cyclohexanone, unformed

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Joshua cyclohexanone, unformed, imine

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Joshua cyclohexanone, unformed, imine, high energy conformer

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Joshua cyclopentanone, Formed imine, lower energy conformation?

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Joshua cyclopentanone, Formed imine, no frequencies

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Joshua cyclopentanone, Formed, C2 symmetry

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Joshua cyclopentanone, Formed, C2 symmetry, NBO analysis

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Joshua cyclopentanone, Formed, unsymmetrised (lacking ln 2)

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Joshua cyclopentanone, Not formed, imine open form, no frequencies

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Joshua cyclopentanone, unformed

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Joshua cyclopentanone, unformed, no symmetry, NBO analysis

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Journal innovations – the next step is augmented reality?

    Imperial College London

    Date added: 2017-6-20

  • other

    Molecule of the month: Mauveine

    Imperial College London

    Date added: 2017-2-2

  • data-set

    Molecule of the year (month/week)?

    Imperial College London

    Date added: 2017-6-20

  • data-set

    Reactant for cis ring fusion for reaction reported in 10.1021/acs.joc.5b01641

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Search for Cl(-) interactions with aryl rings and Aryl C-H bonds

    Imperial College London

    Date added: 2017-1-30

  • data-set

    State and Future of the IUPAC InChI, NIH 16-18 August 2017

    Imperial College London

    Date added: 2017-6-20

  • other

    The Web-based Mpublish procedure for NMR Spectra

    Imperial College London

    Date added: 2017-2-10

  • other

    Virtual Reality Modelling Language (VRML) in Chemistry

    Imperial College London

    Date added: 2017-2-7

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-1-30

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-1-30

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-1-30

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-1-30

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-1-30

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-1-30

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-1-30

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-1-30

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-1-30

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-2-2

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-2-2

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-4-5

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-6-20

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-6-20

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-6-20

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-6-20

  • other

    [Embargoed]

    Imperial College London

    Date added: 2017-6-20

  • data-set

    poiar precursor IRC

    Imperial College London

    Date added: 2017-1-30

  • data-set

    poiar precursor TS

    Imperial College London

    Date added: 2017-1-30

  • data-set

    poiar precursor, triflate reactant

    Imperial College London

    Date added: 2017-2-2

  • data-set

    test

    Imperial College London

    Date added: 2017-1-30

  • data-set

    test1

    Imperial College London

    Date added: 2017-1-30

  • data-set

    tetrahydroxymethane NBO

    Imperial College London

    Date added: 2017-1-30

  • data-set

    tetrahydroxymethane wfn

    Imperial College London

    Date added: 2017-1-30

  • data-set

    tetraphenoxymethane

    Imperial College London

    Date added: 2017-1-30

  • data-set

    (2R,3R)-1-((2-isopropyl-4-nitrophenyl)sulfonyl)-2,3-dimethylindoline

    Imperial College London

    Date added: 2017-2-3

  • data-set

    (2R,3S)-1-((2-isopropyl-4-nitrophenyl)sulfonyl)-2,3-dimethylindoline

    Imperial College London

    Date added: 2017-2-3

  • data-set

    (3aR,8bR)-4-((2-isopropyl-4-nitrophenyl)sulfonyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole

    Imperial College London

    Date added: 2017-2-3

  • data-set

    (4aR,9aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole

    Imperial College London

    Date added: 2017-2-3

  • data-set

    (4aR,9aR)-9-((2-isopropyl-4-nitrophenyl)sulfonyl)-2,3,4,4a,9,9a-hexahydro-1H-carbazole

    Imperial College London

    Date added: 2017-2-3

  • data-set

    (4aR,9aS)-tert-butyl 9-((2-isopropyl-4-nitrophenyl)sulfonyl)-4,4a,9,9a-tetrahydro-1H-pyrido[3,4-b]indole-2(3H)-carboxylate

    Imperial College London

    Date added: 2017-2-3

  • data-set

    1,1',4,4' BN biphenyl

    Imperial College London

    Date added: 2017-2-3

  • data-set

    1,3-dipole formation + Tosylate, TS,Me-OPh, tert-butyl

    Imperial College London

    Date added: 2017-2-3

  • data-set

    1,3-dipole formation + Triflate, TS,Me-OPh, tert-butyl

    Imperial College London

    Date added: 2017-2-3

  • data-set

    1,3-dipole formation + Triflate, TS,Me-OPh, tert-butyl IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    1,3-dipole formation + Triflate, reactant ,Me-OPh, tert-butyl

    Imperial College London

    Date added: 2017-2-3

  • data-set

    1-((2-isopropyl-4-nitrophenyl)sulfonyl)-2-(((triethylsilyl)oxy)methyl)indoline

    Imperial College London

    Date added: 2017-2-3

  • data-set

    1-((2-isopropyl-4-nitrophenyl)sulfonyl)-2-(((triisopropylsilyl)oxy)methyl)indoline

    Imperial College London

    Date added: 2017-2-3

  • data-set

    1-((2-isopropyl-4-nitrophenyl)sulfonyl)-2-methylindoline

    Imperial College London

    Date added: 2017-2-3

  • data-set

    1-((2-isopropyl-4-nitrophenyl)sulfonyl)-5-methoxy-2-methylindoline

    Imperial College London

    Date added: 2017-2-3

  • data-set

    1-((2-isopropyl-4-nitrophenyl)sulfonyl)-N,N,2-trimethylindolin-6-amine

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11 water 6-311++G(d,p)

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11 water 6-311++G(d,p)

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B 1 (HAKYAU dimer) NMR

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B 2 NMR

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B 4 (bridging O)

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B B(NHMe2)(phenylacetate)3 ZW

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B B(NHMe2)(phenylacetate)3 ZW, S-cis esters

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B B(NHMe2)(phenylacetate)3 ZW, S-cis esters

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B B(NMe2)(NHMe2)(phenylacetate)2 ZW

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B B(NMe2)(NHMe2)(phenylacetate)2 ZW, S-cis ester

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B B(NMe2)2(NHMe2)(phenylacetate) ZW

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B B(NMe2)2(NHMe2)(phenylacetate) ZW S-cis ester

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B B(NMe2)3 in CDCl3, D3 symmetry

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B B(NMe2)3 phenylacetate(-)

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B B(OCH2CF3)2NH2BzNHBz

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B B(OCH2CF3)3NH2Bz

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B B(OCH2CF3)4 (-) PhCH2NH4(+)

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B B(OCH2CF3)NH2Bz(NHBz)2

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B CDCl3 B(OCH2CF3)3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B CDCl3 B(pyrrolidine)3

    Imperial College London

    Date added: 2017-2-3

  • other

    11B NMR chemical shifts: a comparison between calculated and measured values

    Imperial College London

    Date added: 2017-2-4

  • data-set

    11B-19 CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B-24 CDCl3 R=o-chlorophenyl, R' = benzyl

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B-24 CDCl3 cis

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B-24 CDCl3 trans

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B-25 CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B-25 CDCl3 R=o-chlorophenyl, R' = benzyl

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B-26 CDCl3 XADQIF

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B-26 CDCl3 XADQIF gauche

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B-5 CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. 1 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. 13 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. 14 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. 15 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. 17 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. 18 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. 19 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. 2 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. 20 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. 21 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. 22 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. 4 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. 5 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. 6 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. 7 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. 9 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. B(OMe)3 in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. H3BNEt3 in thf

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. LiBH4. 2thf

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. LiBH4. 3thf

    Imperial College London

    Date added: 2017-2-3

  • data-set

    11B. Triethylborane in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    12 reactant ...HOMe x-ray conformation methanol Def2-TZVPPD freq

    Imperial College London

    Date added: 2017-2-3

  • data-set

    12-Cl...HOMe x-ray conformation methanol TS Def2-TZVPPD

    Imperial College London

    Date added: 2017-2-3

  • data-set

    12-epoxide product

    Imperial College London

    Date added: 2017-2-3

  • data-set

    12-epoxide product freq

    Imperial College London

    Date added: 2017-2-3

  • data-set

    12...HOMe X-ray conformation methanol TS Def2-TZVPPD + MeOH solvent

    Imperial College London

    Date added: 2016-5-30

  • data-set

    12: x-ray conformation methanol TS Def2-TZVPPD BF4 ion pair, top face

    Imperial College London

    Date added: 2017-2-3

  • data-set

    12: x-ray conformation methanol TS Def2-TZVPPD BF4 ion pair, top face

    Imperial College London

    Date added: 2017-2-3

  • data-set

    12: x-ray conformation methanol TS Def2-TZVPPD BF4 ion pair, top face dipole moment only

    Imperial College London

    Date added: 2017-2-3

  • data-set

    12: x-ray conformation methanol TS Def2-TZVPPD BF4 ion pair, top face freq

    Imperial College London

    Date added: 2017-2-3

  • data-set

    12: x-ray conformation methanol TS Def2-TZVPPD BF4 ion pair, top face, product freq

    Imperial College London

    Date added: 2017-2-3

  • data-set

    12R-B calculated NBO analysis. X-ray conformation, methanol, Def2-TZVPPD BF4 ion pair on top face

    Imperial College London

    Date added: 2017-2-3

  • other

    199Hg NMR chemical shifts: a comparison between calculated and measured values

    Imperial College London

    Date added: 2017-1-30

  • data-set

    2 methylboronic acid + 2 ethanoic acid

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2*methylboronic acid + 3*acetic acid + MeNH2, reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2*methylboronic acid + 3*acetic acid + MeNH2, product

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2*methylboronic acid + 3*acetic acid + MeNH2, product => MeNH2 addition to carbonyl

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(((tert-butyldimethylsilyl)oxy)methyl)-1-((2-isopropyl-4-nitrophenyl)sulfonyl)indoline

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(((triethylsilyl)oxy)methyl)indoline

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(2,4-bis(perfluorobutyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(2,4-bis(perfluorobutyl)phenyl)-4-chloropyridine

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(2-Bromo-4,6-bis(perfluorobutyl)phenyl)-4-(dimethylamino) pyridine-N-oxide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(2-Bromo-4,6-bis(perfluorobutyl)phenyl)-4-(dimethylamino)-pyridine-N-oxide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(2-Bromo-4,6-bis(perfluorobutyl)phenyl)-4-(dimethylamino)-pyridine-N-oxide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(2-Bromo-4,6-bis(perfluorobutyl)phenyl)-4-(dimethylamino)-pyridine-N-oxide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(2-Bromo-4,6-bis(perfluorobutyl)phenyl)-4-chloropyridine-N-oxide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(2-bromo-4,6-bis(perfluorobutyl)phenyl)-4-chloropyridine

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(2-bromo-4,6-bis(trifluoromethyl)phenyl)-4-(dimethylamino)pyridine 1-oxide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(2-bromo-4,6-bis(trifluoromethyl)phenyl)-4-(dimethylamino)pyridine 1-oxide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(2-bromo-4,6-bis(trifluoromethyl)phenyl)-4-chloropyridine

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(2-bromo-4,6-bis(trifluoromethyl)phenyl)-4-chloropyridine

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(2-bromo-4,6-bis(trifluoromethyl)phenyl)-4-chloropyridine 1-oxide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(2-bromo-4,6-bis(trifluoromethyl)phenyl)-4-chloropyridine 1-oxide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-(3,5-Bis(perfluorobutyl)-5-phenyl-[1,1_3,1-terphenyl]-2-yl)-4-(dimethylamino)pyridine-N-oxide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-butyl-1-((2-isopropyl-4-nitrophenyl)sulfonyl)indoline

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-isopropyl-1-((2-isopropyl-4-nitrophenyl)sulfonyl)indoline

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-isopropyl-4-nitrobenzene-1-sulfonyl chloride

    Imperial College London

    Date added: 2017-2-3

  • data-set

    2-methylindolin-6-amine

    Imperial College London

    Date added: 2017-2-3

  • data-set

    3,5 polar system

    Imperial College London

    Date added: 2017-2-3

  • data-set

    3,5 polar system nstates=150

    Imperial College London

    Date added: 2017-2-3

  • data-set

    3,7 dipolar system, NICS(1)

    Imperial College London

    Date added: 2017-2-3

  • data-set

    3,7 dipolar system, inducing a Mobius twist?

    Imperial College London

    Date added: 2017-2-3

  • data-set

    3,7 dipolar system, umpolung

    Imperial College London

    Date added: 2017-2-3

  • other

    3rd year

    Imperial College London

    Date added: 2016-4-22

  • data-set

    4-(dimethylamino)-2-(5-phenyl-3,5-bis(trifluoromethyl)-[1,1_3,1-terphenyl]-2-yl)pyridine-1-oxide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    4-(dimethylamino)-2-(5-phenyl-3,5-bis(trifluoromethyl)-[1,1_3,1-terphenyl]-2-yl)pyridine-1-oxide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    4-Ring metallocene search query

    Imperial College London

    Date added: 2017-2-3

  • data-set

    4-amine route, product of 1st cycle + MeNH2 -amide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    4-amine route, reactant of 2nd cycle cycle +H2O -amide, PT

    Imperial College London

    Date added: 2017-2-3

  • data-set

    4H2O

    Imperial College London

    Date added: 2017-2-3

  • data-set

    5,7 polar system

    Imperial College London

    Date added: 2017-2-3

  • data-set

    5-chloro-1-((2-isopropyl-4-nitrophenyl)sulfonyl)-2-methylindoline

    Imperial College London

    Date added: 2017-2-3

  • data-set

    5-coordinate intermediate Berry pseudorotation TS2 Def2-TZVPPD

    Imperial College London

    Date added: 2016-5-30

  • data-set

    5-coordinate intermediate Berry pseudorotation TS2 New conf?

    Imperial College London

    Date added: 2016-5-30

  • data-set

    5-nitro-1,3-dimethyl-indolin-2-one

    Imperial College London

    Date added: 2016-3-9

  • data-set

    6-Cl...HOMe x-ray conformation methanol TS Def2-TZVPPD

    Imperial College London

    Date added: 2016-6-14

  • data-set

    6-Cl...HOMe x-ray conformation methanol TS Def2-TZVPPD, reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    6-Cl...HOMe x-ray conformation methanol TS Def2-TZVPPD, reactant freq

    Imperial College London

    Date added: 2017-2-3

  • data-set

    6-nitro 1,3-dimethyl indolent-2-one

    Imperial College London

    Date added: 2016-3-9

  • data-set

    6-ring metallocene search queries

    Imperial College London

    Date added: 2017-2-3

  • data-set

    68-annulene, C1

    Imperial College London

    Date added: 2017-2-3

  • data-set

    6: x-ray conformation methanol TS Def2-TZVPPD BF4 ion pair, top face

    Imperial College London

    Date added: 2017-2-3

  • data-set

    6: x-ray conformation methanol TS Def2-TZVPPD BF4 ion pair, top face

    Imperial College London

    Date added: 2017-2-3

  • data-set

    7-ring metallocene search queries

    Imperial College London

    Date added: 2017-2-3

  • data-set

    8-ring metallocene search queries

    Imperial College London

    Date added: 2017-2-3

  • data-set

    9-Cl...HOMe x-ray conformation methanol TS Def2-TZVPPD

    Imperial College London

    Date added: 2016-6-17

  • data-set

    9-Cl...HOMe x-ray conformation methanol TS Def2-TZVPPD lower conformation

    Imperial College London

    Date added: 2017-2-3

  • data-set

    9-Cl...HOMe x-ray conformation methanol TS Def2-TZVPPD lower conformation

    Imperial College London

    Date added: 2017-2-3

  • data-set

    9...HOMe X-ray conformation methanol TS Def2-TZVPPD + MeOH solvent

    Imperial College London

    Date added: 2017-2-3

  • data-set

    9: x-ray conformation methanol TS Def2-TZVPPD BF4 ion pair, bottom face

    Imperial College London

    Date added: 2017-2-3

  • data-set

    9: x-ray conformation methanol TS Def2-TZVPPD BF4 ion pair, top face

    Imperial College London

    Date added: 2017-2-3

  • data-set

    9: x-ray conformation methanol TS Def2-TZVPPD BF4 ion pair, top face, reactant freq

    Imperial College London

    Date added: 2017-2-3

  • data-set

    9: x-ray conformation methanol oxonium catio Def2-TZVPPD BF4 ion pair, top face

    Imperial College London

    Date added: 2017-2-3

  • data-set

    A wider look at the π-complex theory of metal-alkene compounds

    Imperial College London

    Date added: 2017-2-3

  • data-set

    AIMALL site

    Imperial College London

    Date added: 2017-2-3

  • data-set

    ALOVOO

    Imperial College London

    Date added: 2017-1-30

  • other

    Amide

    Imperial College London

    Date added: 2016-3-9

  • data-set

    Anomeric AlH2 centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Anomeric PH2 centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Anomeric effects at boron, silicon and phosphorus

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Anomeric effects at carbon, involving lone pairs originating from one or two nitrogens

    Imperial College London

    Date added: 2017-2-3

  • other

    Anomeric interactions at atom centres

    Imperial College London

    Date added: 2017-2-3

  • other

    Atropisomeric 4-DMAP-N-oxide Organocatalyst

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Attempt to find TS2 for trans ring fusion, SnCl3

    Imperial College London

    Date added: 2017-1-30

  • data-set

    B(NHMe)3 + RCO2H TS TZVPP, PT

    Imperial College London

    Date added: 2017-2-3

  • data-set

    B(NHMe)3 + RCO2H TS TZVPP, PT IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    B(NHMe)3 + RCO2H TS TZVPP, PT reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    B(NHMe)3 + RCO2H TS TZVPP, no PT

    Imperial College London

    Date added: 2017-2-3

  • data-set

    B(NHMe)3 + RCO2H TS TZVPP, no PT IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    B(NHMe)3 + RCO2H TS TZVPP, no PT reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    B(NR2)3 + CO2 TS TZVPP IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    B(NR2)3 + CO2 TS TZVPP reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    B(NR2)3 + RCO2H TS TZVPP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    B(NR2)3 + RCO2H TS TZVPP IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    BAFNEE

    Imperial College London

    Date added: 2017-2-3

  • data-set

    BAFNEE

    Imperial College London

    Date added: 2017-2-3

  • data-set

    BAFNEE

    Imperial College London

    Date added: 2017-2-3

  • data-set

    BAFNEE

    Imperial College London

    Date added: 2017-2-3

  • data-set

    BAFNEE

    Imperial College London

    Date added: 2017-2-3

  • data-set

    BF3. Et2O in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    BF3. Et2O in diethyl ether

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Boronic 1 => 2 TS IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    C-protonated phenol, gas phase, ortho

    Imperial College London

    Date added: 2017-2-3

  • data-set

    C-protonated phenol, gas phase, para

    Imperial College London

    Date added: 2017-2-3

  • data-set

    C...N formation with Me replacing NHMe to prevent proton transfer

    Imperial College London

    Date added: 2017-2-3

  • data-set

    C5H4 non-planar, C2 symmetry

    Imperial College London

    Date added: 2017-2-3

  • data-set

    C5H4 non-planar, Cs symmetry

    Imperial College London

    Date added: 2017-2-3

  • data-set

    C5H4 non-planar, no symmetry

    Imperial College London

    Date added: 2017-2-3

  • data-set

    C=C bonds

    Imperial College London

    Date added: 2017-1-30

  • data-set

    CAZFUE

    Imperial College London

    Date added: 2017-2-3

  • data-set

    CFCl3 aug-cc-pvdz CDCl3 wB97XD

    Imperial College London

    Date added: 2017-2-3

  • data-set

    CPCOTI01

    Imperial College London

    Date added: 2017-2-3

  • data-set

    CPCOTI01

    Imperial College London

    Date added: 2017-2-3

  • data-set

    CSD Search query for carbenes

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + 3H2O

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + MeNH2

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + MeNH2 + acetic acid

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + amine => TI => amide TS epimer + acetic acid assisted PT, TI + acetic acid after PT, C-O cleavage reactant TI Alt IRC => forward

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + amine => TI => amide TS epimer + acetic acid assisted PT, TI + acetic acid after PT, C-O cleavage reactant TI Alt IRC reverse

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + amine => TI

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + amine => TI => amide TS epimer + acetic acid assisted PT

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + amine => TI => amide TS epimer + acetic acid assisted PT IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + amine => TI => amide TS epimer + acetic acid assisted PT, TI + acetic acid

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + amine => TI => amide TS epimer + acetic acid assisted PT, TI + acetic acid after PT

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + amine => TI => amide TS epimer + acetic acid assisted PT, TI + acetic acid after PT, C-O cleavage product amide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + amine => TI => amide TS epimer + acetic acid assisted PT, TI + acetic acid after PT, C-O cleavage reactant TI

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + amine => TI => amide TS epimer + acetic acid assisted PT, TI + acetic acid after PT, C-O cleavage IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + amine => TI => amide TS epimer + acetic acid assisted PT, TI + acetic acid after PT, C-O cleavage TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + amine => TI => amide TS epimer + acetic acid assisted PT, TI + acetic acid after PT, C-O cleavage reactant TI Alt TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + amine => TI => amide via PT TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + amine => TI1 => TI2 IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + amine => TI1 => TI2 TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic first cycle, dimer + amine, product 1st cycle + MeNH2 reactants for 2nd cycle

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Carboxylic second cycle, dimer + amine, reactant for 2nd cycle + amide product from first + H2O

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Cat1 Conf2 wB97XD Def2-TZVPP + CHCl3

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Cat1 Conf2 wB97XD Def2-TZVPP + CHCl3 (lower?) optrot

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Cat1 Conf4 TPSSh nstates=150

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Cat1 Conf8 TPSSh Def2-TZVPP with CHCl3, optrot

    Imperial College London

    Date added: 2017-1-30

  • other

    Catalytic cycles for amidation of a carboxylic acid using boron catalysts

    Imperial College London

    Date added: 2017-1-30

  • other

    Catalytic cycles for amidation of a carboxylic acid using boron catalysts. The three amine cycle

    Imperial College London

    Date added: 2017-1-30

  • other

    Catalytic cycles for amidation of a carboxylic acid using boron catalysts. The three amine cycle

    Imperial College London

    Date added: 2017-1-30

  • other

    Catalytic cycles for amidation of a carboxylic acid using boron catalysts. The two amine cycle

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Celebrating Paul Schleyer: searching for hidden treasures in the structures of metallocene complexes

    Imperial College London

    Date added: 2016-4-5

  • other

    Celebrating Paul Schleyer: searching for hidden treasures in the structures of metallocene complexes

    Imperial College London

    Date added: 2016-4-5

  • data-set

    Chemical Science and Data Repository Design

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Chemical Science and Data Repository Design

    Imperial College London

    Date added: 2017-2-3

  • data-set

    [email protected]

    Imperial College London

    Date added: 2016-3-9

  • other

    Chiroptical Calculations

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Comments on blog post The smallest C-C-C angle?

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Compound 10. 13C NMR data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Compound 10. 1H NMR data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Compound 5. 13C NMR data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Compound 5. 1H NMR data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Compound 6. 13C NMR data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Compound 6. 1H NMR data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Compound 7. 13C NMR data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Compound 7. 1H NMR data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Compound 8. 13C NMR data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Compound 8. 1H NMR data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Compound 9. 13C NMR data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Compound 9. 1H NMR data @298K for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Compound 9. 1H NMR data @323K for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Compound 9. NMR data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • other

    Computational data for Atropisomeric 4-dimethylaminopyridine-N-oxide Organocatalyst

    Imperial College London

    Date added: 2017-2-1

  • other

    Computational data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • other

    Computational data for Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Computed relative reaction free energies of Obtusallene derived oxonium and chloronium cations

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Concerted opening of protonated epoxide cation by methanol TS C...O formation iso

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Conf1, TPSSh/6-311g(2df,p) nstates=150

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf1, TPSSh/6-311g(2df,p) optrot

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf1, b3lyp+gd3bj/6-311g(2df,p), VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf1, wB97XD Def2-TZVPP NMR VCD

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf1, wB97XD/6-311g(2df,p) VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf1, wB97XD/Def2-TZVPP + CHCl3, VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf1, wB97XD/Def2-TZVPP + CHCl3, VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf2 TPSSh Def2-TZVPP + CHCl3 (lower?) optrot

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Conf2 cam-b3lyp Def2-TZVPP + CHCl3 (lower?) optrot

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Conf2, M062X/6-311g(2df,p) nstates=150

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf2, TPSSh/6-311g(2df,p) nstates=150

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf2, TPSSh/6-311g(2df,p) optrot

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf2, b3lyp+gd3bj/6-311g(2df,p), VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf2, wB97XD Def2-TZVPP NMR VCD

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf2, wB97XD/6-311g(2df,p) VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf2, wB97XD/Def2-TZVPP + CHCl3, VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf3, TPSSh/6-311g(2df,p) nstates=150

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf3, TPSSh/6-311g(2df,p) optrot

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf3, b3lyp+gd3bj/6-311g(2df,p), VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf3, wB97XD Def2-TZVPP NMR VCD

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf3, wB97XD/6-311g(2df,p) VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf3, wB97XD/Def2-TZVPP + CHCl3, VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf4, TPSSh/6-311g(2df,p) nstates=120

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf4, TPSSh/6-311g(2df,p) optrot

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf4, b3lyp+gd3bj/6-311g(2df,p), VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf4, wB97XD Def2-TZVPP NMR VCD

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf4, wB97XD/6-311g(2df,p) VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf4, wB97XD/Def2-TZVPP + CHCl3, VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf5, TPSSh/6-311g(2df,p) nstates=150

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf5, TPSSh/6-311g(2df,p) optrot

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf5, b3lyp+gd3bj/6-311g(2df,p), VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf5, wB97XD/6-311g(2df,p) VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf5, wB97XD/Def2-TZVPP + CHCl3, VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf6, TPSSh/6-311g(2df,p) nstates=150

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf6, TPSSh/6-311g(2df,p) optrot

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf6, b3lyp+gd3bj/6-311g(2df,p), VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf6, wB97XD/6-311g(2df,p) VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf6, wB97XD/Def2-TZVPP + CHCl3, VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf7, TPSSh/6-311g(2df,p) nstates=120

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf7, TPSSh/6-311g(2df,p) optrot

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf7, b3lyp+gd3bj/6-311g(2df,p), VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf7, wB97XD/6-311g(2df,p) VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf7, wB97XD/Def2-TZVPP + CHCl3, VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf8, TPSSh/6-311g(2df,p) nstates=120

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf8, TPSSh/6-311g(2df,p) optrot

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf8, b3lyp+gd3bj/6-311g(2df,p), VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf8, wB97XD Def2-TZVPP NMR VCD

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf8, wB97XD/6-311g(2df,p) VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Conf8, wB97XD/Def2-TZVPP + CHCl3, VCD NMR

    Imperial College London

    Date added: 2017-1-30

  • data-set

    CpCrCh

    Imperial College London

    Date added: 2017-2-3

  • data-set

    CpCrCh 2+

    Imperial College London

    Date added: 2017-2-3

  • data-set

    CpFeCh 2+

    Imperial College London

    Date added: 2017-2-3

  • data-set

    CpTiCh 2-

    Imperial College London

    Date added: 2017-2-3

  • data-set

    CpTiCh 2-

    Imperial College London

    Date added: 2017-2-3

  • data-set

    CrN bond length searches

    Imperial College London

    Date added: 2017-2-3

  • data-set

    CrN123 in thf, 6-311G(d,p)

    Imperial College London

    Date added: 2017-2-3

  • data-set

    CrN123 in thf, Def2-TZVPP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    CrN123: QTAIM analysis

    Imperial College London

    Date added: 2017-2-3

  • other

    Craig

    Imperial College London

    Date added: 2017-2-4

  • data-set

    Crystal structure search using enhanced nucleophiles

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Crystal structures containing Sn...Sn bonds

    Imperial College London

    Date added: 2016-3-9

  • data-set

    Crystal structures containing the hydronium cation

    Imperial College London

    Date added: 2017-2-3

  • other

    Crystallographic searches of metallocene type complexes

    Imperial College London

    Date added: 2016-4-3

  • data-set

    Cyclic metallocene oligomers

    Imperial College London

    Date added: 2017-2-3

  • data-set

    DEGSEP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    DEGSEP triplet

    Imperial College London

    Date added: 2017-2-3

  • other

    Data Repository Project

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Decarboxylation of 5- and 6-substituted indole-3-carboxylic acids

    Imperial College London

    Date added: 2016-3-9

  • other

    Decarboxylative Claisen rearrangements

    Imperial College London

    Date added: 2017-2-4

  • other

    Decarboxylative Claisen rearrangements

    Imperial College London

    Date added: 2017-2-4

  • data-set

    Def2-TZVPPD 11 water

    Imperial College London

    Date added: 2017-2-3

  • other

    Demonstration of Professional Preview of NMR Data files using MestreNova and Mpublish

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Desilylation using sodium acetate from 5-coord intermediate, IRC

    Imperial College London

    Date added: 2016-5-30

  • data-set

    Desilylation using sodium acetate to 5-coord intermediate TS

    Imperial College London

    Date added: 2016-5-30

  • data-set

    Desilylation using sodium acetate,to 5-coord intermediate TS1 IRC

    Imperial College London

    Date added: 2016-5-30

  • data-set

    Desilylation using sodium acetate,to 5-coord intermediate TS1 freq

    Imperial College London

    Date added: 2016-5-30

  • data-set

    Desilylation using sodium acetate,to 5-coord product

    Imperial College London

    Date added: 2016-5-30

  • data-set

    Desilylation using sodium acetate,to 5-coord reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Deuteronium deuteroxide; free energy differences

    Imperial College London

    Date added: 2016-5-30

  • data-set

    Di-axial , ion pair isomerisation TS Def2-TZVPPD 104

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Di-axial , ion pair isomerisation TS IRC 25

    Imperial College London

    Date added: 2016-5-30

  • data-set

    Di-axial elimination of F

    Imperial College London

    Date added: 2016-5-30

  • data-set

    Di-axial elimination of F Def2-TZVPPD

    Imperial College London

    Date added: 2016-6-15

  • data-set

    Di-axial elimination of F IRC

    Imperial College London

    Date added: 2016-5-30

  • data-set

    Di-axial elimination of O TS

    Imperial College London

    Date added: 2016-5-30

  • data-set

    Diethyl Zinc NMR Spectra

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Discovery based research experiences: gauche effects in group 16 elements

    Imperial College London

    Date added: 2016-3-9

  • data-set

    Documentation Toolkit – Project Mpublish

    Imperial College London

    Date added: 2017-2-3

  • other

    Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • other

    Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-4

  • other

    Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-4

  • data-set

    Example of mnpub file signed using the Mestrelab key

    Imperial College London

    Date added: 2017-2-3

  • other

    FAIR Data table. Computed relative reaction free energies (kcal/mol-1) of Obtusallene derived oxonium and chloronium cations

    Imperial College London

    Date added: 2017-2-3

  • data-set

    FAIR Research data: Computational chemistry and NMR Spectroscopy, persistent identifiers (PIDs) and Data Repositories

    Imperial College London

    Date added: 2017-1-30

  • data-set

    FAZWIM (long C=C bond?)

    Imperial College London

    Date added: 2017-2-3

  • data-set

    FAZWIM (long C=C bond?) quintet

    Imperial College London

    Date added: 2017-2-3

  • data-set

    FAZWIM (long C=C bond?) triplet

    Imperial College London

    Date added: 2017-1-30

  • data-set

    FUHFAP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    FUHFAP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Figure 10. Polymerization pathways from mixtures of CHO, PA and ε-CL

    Imperial College London

    Date added: 2016-3-9

  • data-set

    Figure 11, illustrating the polymerization pathways for mixtures of CHO, PA, and CO2

    Imperial College London

    Date added: 2016-3-9

  • data-set

    Figure 11. Polymerization pathways from mixtures of CHO, PA and CL

    Imperial College London

    Date added: 2016-3-9

  • other

    Figure 11: Polymerization pathways from mixtures of CHO, PA and ε-CL. In black: The ROCOP of CHO/PA; in green: the ROP of ε-CL

    Imperial College London

    Date added: 2017-1-30

  • other

    Figure 11: Polymerization pathways from mixtures of CHO, PA and ε-CL. In black: The ROCOP of CHO/PA; in green: the ROP of ε-CL

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Figure 12: Illustrates the polymerization pathways for mixtures of CHO, PA, and CO2

    Imperial College London

    Date added: 2016-3-9

  • data-set

    Figure 9, Figure S18. ROCOP of PA/CHO

    Imperial College London

    Date added: 2016-3-9

  • data-set

    Figure 9, Figure S18. ROCOP of PA/CHO

    Imperial College London

    Date added: 2016-3-9

  • other

    Genaev

    Imperial College London

    Date added: 2017-2-3

  • data-set

    H2N-O-SO3H

    Imperial College London

    Date added: 2017-2-3

  • data-set

    H3N-O-SO3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    H3S(+)...HS(-) in diethylsulfide TZVPPD

    Imperial College London

    Date added: 2017-2-3

  • data-set

    HCl + 3H2O + phenol, C-protonated, ortho

    Imperial College London

    Date added: 2017-2-3

  • data-set

    HCl + 3H2O + phenol, C-protonated, para

    Imperial College London

    Date added: 2017-2-3

  • data-set

    HCl + 3H2O + phenol, C-protonated, para NMR

    Imperial College London

    Date added: 2017-2-3

  • data-set

    HCl + 3H2O + phenol, O-protonated

    Imperial College London

    Date added: 2017-2-3

  • data-set

    HCl + 3H2O + phenol, O-protonated NMR

    Imperial College London

    Date added: 2017-2-3

  • data-set

    HF autoionization

    Imperial College London

    Date added: 2017-2-3

  • data-set

    HF autoionization Cs symmetry HF DCM

    Imperial College London

    Date added: 2017-2-3

  • data-set

    HF autoionization Cs symmetry ion pair, TS DCM

    Imperial College London

    Date added: 2017-2-3

  • data-set

    HF autoionization Cs symmetry ion pair, TS DCM IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    HMTD Hexamethylenetriperoxidediamine D3 NBO

    Imperial College London

    Date added: 2017-2-3

  • data-set

    HN-O-SO(OH)2

    Imperial College London

    Date added: 2017-2-3

  • data-set

    How does an OH or NH group approach an aromatic ring to hydrogen bond with its π-face?

    Imperial College London

    Date added: 2017-2-3

  • data-set

    IRC for 2,3-epoxidation of 1,3-di-tert-butyl 1,2-epoxybromoallene by DMDO, TZVP basis set

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, N attack + H2O TS, t-Bu, p-NO2Ph

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, N attack zwitterion + H2O TS, t-Bu, p-NMe2Ph + mCPBA CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, N attack zwitterion + H2O TS, t-Bu, p-NMe2Ph + mCPBA CDCl3 proton on N

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, N attack zwitterion + H2O TS, t-Bu, p-NO2Ph + mCPBA CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, pi attack

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, pi attack + H2O, TS. IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, pi attack IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, pi attack zwitterion + H2O IRC => C-O formation TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, pi attack zwitterion + H2O IRC => C-O formation TS IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, pi attack zwitterion + H2O TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, pi attack zwitterion + H2O TS IRC, addition int

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, pi attack zwitterion + H2O TS IRC, oxaziridine product

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, pi attack zwitterion + H2O TS, t-Bu, p-NMe2Ph + mCPBA

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, pi attack zwitterion + H2O TS, t-Bu, p-NMe2Ph + mCPBA CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, pi attack zwitterion + H2O TS, t-Bu, p-NO2Ph + mCPBA

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, pi attack zwitterion + H2O TS, t-Bu, p-NO2Ph + mCPBA CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, pi attack zwitterion + H2O reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, pi attack zwitterion IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, pi attack zwitterion freq

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, π attack + H2O, TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, π attack zwitterion + H2O

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, π attack zwitterion + H2O TS IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, π attack zwitterion + H2O TS, t-Bu, p-NMe2Ph

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, π attack zwitterion + H2O intermediate

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid, π-attack zwitterion + H2O TS, t-Bu, p-NO2Ph

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid,N attack + H2O, TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid,N attack + H2O, TS IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imine + peracetic acid,N attack IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Imperial College High Performance Computing Service Data Repository Metadata Schema

    Imperial College London

    Date added: 2017-2-3

  • other

    InChI as a research data management tool

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Int1 NBO

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Interactive Data table: Calculated properties for (S)-Streptorubin and (R,R)-Rosephilin

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Intermediate for cis ring fusion, SnCl3

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Ionic model for general acid catalysed decarboxylation

    Imperial College London

    Date added: 2016-3-9

  • data-set

    Ionic, diaziridine formation + Tosylate, TS,Me-OPh, tert-butyl TS

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Ionic, diaziridine formation + Triflate, TS,Me-OPh, tert-butyl

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Ionic, diaziridine formation + Triflate, TS,Me-OPh, tert-butyl IRC

    Imperial College London

    Date added: 2017-2-3

  • other

    Jordi

    Imperial College London

    Date added: 2016-3-11

  • data-set

    Jordi4 (of 16?) Me eq, chair RRRS NBO

    Imperial College London

    Date added: 2016-3-11

  • data-set

    KINISOT

    Imperial College London

    Date added: 2017-2-3

  • data-set

    KOJLAWH. OH(-). 2H2O alt H bond vs X-ray of hydronium hydroxide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Kinetic isotope effects for the ionisation of 5- and 6-substituted 1,3-dimethyl indolinones

    Imperial College London

    Date added: 2016-3-9

  • data-set

    Long C=C bonds

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Managing (open) NMR data: a working example using Mpublish

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Mauveine B, two ethanols trimethyl rotamer nstates=100 4/96 TSSPh functional

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Me-OPh, tert-butyl imine + mCPBA, nitrone formation

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Me-OPh, tert-butyl imine + mCPBA, oxziridine formation

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Me-OPh, tert-butyl imine + mCPBA, reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Me2B(NHMe)1 + RCO2H TS TZVPP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Me2B(NHMe)1 + RCO2H TS TZVPP IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Me2B(NHMe)1 + RCO2H TS TZVPP reactant PT

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Me2B(NHMe)1 + RCO2H TS TZVPP reactant, no PT

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Me2B(NHMe)1 + RCO2H TS TZVPP reactant, no PT

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Me2B(NR2)1 + CO2 TS TZVPP reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Me3SiNH3OH, 8 waters OH Def2-TZVPPD NH water arrangement wiberg

    Imperial College London

    Date added: 2017-2-3

  • data-set

    MeB(NHMe)2 + RCO2H TS TZVPP + PT reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    MeB(NHMe)2 + RCO2H TS TZVPP, No PT reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    MeB(NHMe)2 + RCO2H TS TZVPP, No PT, cf -484.494857

    Imperial College London

    Date added: 2017-2-3

  • data-set

    MeB(NHMe)2 + RCO2H TS TZVPP, No PT, cf -484.494857 IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    MeB(NHMe)2(NH2Me) + RCO2H IRC, full extent, forward

    Imperial College London

    Date added: 2017-2-3

  • data-set

    MeB(NHMe)2(NH2Me) + RCO2H IRC, full extent, reverse

    Imperial College London

    Date added: 2017-2-3

  • data-set

    MeB(NHMe)3 + RCO2H IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    MeB(NR2)(N(TMS))2 + CO2 N-adduct React TZVPP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    MeB(NR2)(N(TMS))2 + CO2 N-adduct TS TZVPP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    MeB(NR2)(NNH2) + CO2 N-adduct TS TZVPP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    MeB(NR2)1 + CO2 TS TZVPP IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    MeB(NR2)2 + CO2 N-adduct

    Imperial College London

    Date added: 2017-2-3

  • data-set

    MeB(NR2)2 + CO2 N-adduct O-B form TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    MeB(NR2)2 + CO2 N-adduct TS TZVPP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    MeB(NR2)2 + CO2 N-adduct TS TZVPP IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Mechanism and kinetic isotope effects for protiodecarboxylation of indoles

    Imperial College London

    Date added: 2016-3-9

  • other

    Mechanism and kinetic isotope effects for protiodecarboxylation of indoles

    Imperial College London

    Date added: 2016-3-9

  • other

    Mechanism and kinetic isotope effects for the ionisation of indolinones

    Imperial College London

    Date added: 2016-3-9

  • data-set

    Mechanisms and kinetic isotope effects for the base catalysed ionisation of 1,3-dimethyl indolinone

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Metal-ring complexes with one carbon substituent

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Mpublish. The latest tools from Mnova make the preparation of Supplementary Information or patent information much faster and simpler than it ever was before. In this video, Santi Dominguez, CEO of Mestrelab Research SL, explains how Mnova can now save anyone interested in publishing work very significant time and effort, and facilitate the submission of primary raw data together with the publication

    Imperial College London

    Date added: 2017-2-3

  • data-set

    N,N,2-trimethylindolin-6-amine

    Imperial College London

    Date added: 2017-2-3

  • data-set

    N-Heteroatom Substitution Effects in 3-Aza-Cope Rearrangements

    Imperial College London

    Date added: 2016-3-10

  • data-set

    N-Heteroatom Substitution Effects in 3-Aza-Cope Rearrangements

    Imperial College London

    Date added: 2016-3-10

  • data-set

    N2 Def2-TZVPP CHCl3 NMR

    Imperial College London

    Date added: 2017-2-3

  • data-set

    N2 Def2-TZVPP thf NMR

    Imperial College London

    Date added: 2017-2-3

  • data-set

    N3C2 bis carbene

    Imperial College London

    Date added: 2017-2-3

  • data-set

    NBOs for 1,1-di-t-butyl allene

    Imperial College London

    Date added: 2017-2-3

  • data-set

    NCNH3OH, 8 waters RP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    NCNH3OH, 8 waters RP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    NCNH3OH, 8 waters RP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    NCNH3OH, 8 waters RP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    NCNH3OH, 8 waters RP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    NCNH3OH, 8 waters RP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    NH3 NMR Def2TZVPP + wB97XD/CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    NH3 test of new repository

    Imperial College London

    Date added: 2016-3-9

  • data-set

    NH3 test of new repository

    Imperial College London

    Date added: 2016-3-9

  • data-set

    NH3 test of new repository

    Imperial College London

    Date added: 2016-3-9

  • data-set

    NH4OH, 0 waters RP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    NH4OH, 0 waters RP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    NH4OH, 2 waters RP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    NHC wfn

    Imperial College London

    Date added: 2017-2-3

  • data-set

    NMR Data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • other

    NMR Data for Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design

    Imperial College London

    Date added: 2017-2-3

  • data-set

    NMR data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • data-set

    NMR data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • other

    NMR data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Neutral reactant, CN contraction IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Neutral reactant, NN contraction + NMe3 to sequester proton

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Neutral reactant, NN contraction + NMe3 to sequester proton, MeO-phenyl, tert-butyl

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Neutral reactant, NN contraction + NMe3 to sequester proton, phenyl, tert-butyl

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Neutral reactant, NN contraction, t-butyl, phenyl

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Neutral, CN contraction + NMe3 to sequester proton, TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Neutral, CN contraction + NMe3 to sequester proton, TS, Ph, tert-butyl

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Neutral, CN contraction + NMe3 to sequester proton, TS,Me-OPh, tert-butyl

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Neutral, NN contraction + NMe3 to sequester proton, TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Neutral, NN contraction + NMe3 to sequester proton, TS, MeO-Ph, t-butyl freq

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Neutral, NN contraction + NMe3 to sequester proton, TS, ph, t-butyl freq

    Imperial College London

    Date added: 2017-2-3

  • other

    New Collection

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Noncatalytic Bromination of Benzene: A Combined Computational and Experimental Study

    Imperial College London

    Date added: 2017-2-3

  • data-set

    O-(2-isopropyl-4-nitrophenyl) dimethylcarbamothioate

    Imperial College London

    Date added: 2017-2-3

  • data-set

    O-protonated phenol, gas phase, twisted OH2

    Imperial College London

    Date added: 2017-2-3

  • data-set

    OPEN SCIENCE AND THE CHEMISTRY LAB OF THE FUTURE 22 – 24 May 2017 Rüdesheim, Germany

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Oxonium cation from X-ray analogue

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Polar record holder, tetracycanodiaminobenzene, C2 symmetry

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Polar record holder, tetracycanodiaminobenzene, C2 symmetry nstates=150

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Polar record holder, tetracycanodiaminobenzene, C2 symmetry polarizability

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Presentation at the ACS National meeting, San Diego, California

    Imperial College London

    Date added: 2016-3-9

  • data-set

    Presentation at the ACS National meeting, San Diego, California on march 16, 2016

    Imperial College London

    Date added: 2016-3-9

  • data-set

    ProView and data repositories

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Product for cis ring fusion, SnCl3

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Product of 1,3- di-tert butyl bromoallene + DMDO, 2,3-epoxidation. TZVP basis set

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Product of 1st cycle + MeNH2 _ AcOH, lower energy

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Product of 1st cycle + MeNH2, NMe replacing bridging O

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Product of 1st cycle + MeNH2, lower energy, OH replacing NHMe

    Imperial College London

    Date added: 2017-2-3

  • data-set

    QIHNEC 7-Ti-5

    Imperial College London

    Date added: 2017-2-3

  • data-set

    QTAIM Analysis for C2

    Imperial College London

    Date added: 2016-3-9

  • data-set

    QTAIM analysis for C2

    Imperial College London

    Date added: 2016-3-9

  • data-set

    QTAIM analysis for the Cr2 complex at the CASSCF(14,14)/6-311G(d) level

    Imperial College London

    Date added: 2016-3-9

  • data-set

    QTAIM analysis of ethyne, HCCH

    Imperial College London

    Date added: 2016-3-9

  • data-set

    QTAIM analysis of system with close H...H contact

    Imperial College London

    Date added: 2016-3-9

  • data-set

    RRS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    RRS 34.72

    Imperial College London

    Date added: 2017-2-3

  • data-set

    RSS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    RUWFOE model of two boron units Diels Alder cycloaddition, IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    RUWFOE model of two boron units Diels Alder cycloaddition, TS with Me replacing NHMe twice

    Imperial College London

    Date added: 2017-2-3

  • other

    RUWFOE model of two boron units Diels Alder cycloaddition, TS with Me replacing NHMe twice, reactant with H-Bonding

    Imperial College London

    Date added: 2017-2-4

  • data-set

    RUWFOE model of two boron units Diels Alder cycloaddition, reactant, H-bonded

    Imperial College London

    Date added: 2017-2-3

  • data-set

    RUWFOE model of two boron units no PT

    Imperial College London

    Date added: 2017-2-3

  • data-set

    RUWFOE model of two boron units, PT between reagent and acetic acid TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Reactant for 1,3- di-tert butyl bromoallene + DMDO 1,2-epoxidation, including NBOs

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Reactant for 1,3-di-tert-butyl 1,2-epoxybromoallene, 2,3-epoxidation wth DMDO

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Reactant for cis ring fusion, SnCl3

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Reactant of 2nd cycle + H2O

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Reactant of 2nd cycle + H2O, NMe replacing bridging O

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Reactant of 2nd cycle + H2O, OH replacing NHMe

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Reactant of 2nd cycle + H2O, OH replacing NHMe, alt conformation

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Reactant of 2nd cycle + H2O, alt conformation

    Imperial College London

    Date added: 2017-2-3

  • other

    Regioselective epoxidation of substituted bromoallenes

    Imperial College London

    Date added: 2016-5-1

  • other

    Regioselective epoxidation of substituted bromoallenes

    Imperial College London

    Date added: 2017-2-3

  • data-set

    S-(2-isopropyl-4-nitrophenyl) dimethylcarbamothioate

    Imperial College London

    Date added: 2017-2-3

  • data-set

    SOBWAH, XeF5

    Imperial College London

    Date added: 2017-2-3

  • data-set

    SOBWAH, XeF5 wfn DZP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    SOBWAH, XeF5 wfn DZP anion

    Imperial College London

    Date added: 2017-2-3

  • data-set

    SRS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    SSS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    SSS-376.1

    Imperial College London

    Date added: 2017-2-3

  • other

    Scheschkewitz

    Imperial College London

    Date added: 2017-2-4

  • data-set

    Search for Azane oxide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Search for HO interactions to indoles, pyrroles, furans, and thiophenes

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Search query for F(-) coordinated by hydrogen bonds

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N N---C bond formation, IRC pathway

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N IRC N---C IRC product

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N IRC N---C TS, OH replacing NHMe

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N IRC N---C TS, OH replacing NHMe

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N IRC N---C TS, OH replacing NHMe, C...N RP, TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N scan O...B formation IRC derived product

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N scan O...B formation IRC derived product

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N scan O...B formation IRC derived product, OH replacing NHMe

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N scan O...B formation IRC derived reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N scan O...B formation IRC derived reactant, protonated carboxylic acid

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N scan O...B formation IRC derived reactant, protonated carboxylic acid + 2H2O, OH replacing NHMe

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N scan O...B formation IRC derived reactant, protonated carboxylic acid + 3H2O

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N scan O...B formation TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N scan O...B formation TS, OH replacing NHMe

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N scan O...B formation final product, OH replacing NHMe

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N, 2CH3B(OH)2 + 2CH3NH2 + CH3CO2H freq

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Sheppards proposal, O replacing bridging N, 2CH3B(OH)2 + 3CH3NH2 + CH3CO2H

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Stable Bromoallene Oxides

    Imperial College London

    Date added: 2017-2-3

  • journal-article

    Stable bromoallene oxides

    Chemical Communications

    Date added: 2017-11-24

  • data-set

    Stereoscopic display

    Imperial College London

    Date added: 2017-2-3

  • other

    Streitwieser

    Imperial College London

    Date added: 2016-4-20

  • data-set

    Substituted ammonium hydroxides

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TEGWAF di-anion

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TMS BP86/SVP geom Chloroform pcS 1-3 NMR

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TMS BP86/SVP geom Chloroform pcS 1-4 NMR

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TMS BP86/SVP geom Chloroform pcS 2-3 NMR

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TMS wB97XD/Def2-TZVPPD water

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TMS wB97XD/aug-cc-pvdz CDCl3

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TMS wB97XD/aug-cc-pvdz water

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TS for 1,2-epoxidation of 1,1-di-t-butyl allene

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TS for 1,2-epoxidation of unsubstituted bromoallene

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TS for 2,3-epoxidation of 1,1-di-t-butyl allene

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TS for 2,3-epoxidation of 1,3-di-tert-butyl 1,2-epoxybromoallene by DMDO, TZVP basis set

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TS for 2,3-epoxidation of 1,3-di-tert-butyl bromoallene, QZVP basis set

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TS for 2,3-epoxidation of unsubstituted bromoallene syn-periplanar

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TS for 2,3-epoxidation of unsubstituted bromoallene, anti-periplanar

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TS1 IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TS1 NBO

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TS1 for cis ring fusion Chinese variation point 14

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TS1 for cis ring fusion for reaction reported in 10.1021/acs.joc.5b01641

    Imperial College London

    Date added: 2017-1-30

  • data-set

    TS1 for cis ring fusion, SnCl3, IRC

    Imperial College London

    Date added: 2017-1-30

  • data-set

    TS1 for trans ring fusion Chinese variation + Cl(-); Def2-TZVPP + GD3BJ freq

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TS1 for trans ring fusion for reaction reported in 10.1021/acs.joc.5b01641

    Imperial College London

    Date added: 2017-1-30

  • data-set

    TS2 IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TS2 NBO

    Imperial College London

    Date added: 2017-2-3

  • data-set

    TS2 for cis ring fusion, SnCl3, IRC

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Table S7: Comparison of two different basis sets for selected intermediates for CHO/CO2 ROCOP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Table S8: Comparison of two different basis sets for selected intermediates for CHO/PA ROCOP

    Imperial College London

    Date added: 2017-2-3

  • other

    Talk given on March 16, 2016 at the ACS San Diego national meeting to the session on Implementing Discovery-Based Research Experiences in Undergraduate Chemistry Courses

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Test

    Imperial College London

    Date added: 2016-3-9

  • data-set

    Tethered Simmons-Smith

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Tethered Simmons-Smith IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Tethered Simmons-Smith IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Tethered Simmons-Smith binuclear TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    The 5-ring case

    Imperial College London

    Date added: 2017-2-3

  • other

    The carboxylic acid dimer cycle

    Imperial College London

    Date added: 2017-2-3

  • other

    The importance of Data Management for Research

    Figshare

    Date added: 2017-2-4

  • data-set

    The smallest C-C-C angle?

    Imperial College London

    Date added: 2017-2-3

  • other

    These are datasets which have been superseded in some sense, or even created in error. They are here assigned the collection name NULL. Caveat emptor!

    Imperial College London

    Date added: 2017-1-30

  • other

    Total Synthesis of (+)-Lophirone H and its Pentamethylether Utilizing an Oxonium-Prins Cyclisation

    Imperial College London

    Date added: 2017-1-30

  • data-set

    Transition state for 1,2-epoxidation of 1,3-di-tert-butyl allene

    Imperial College London

    Date added: 2016-5-30

  • other

    Transition state for 1,2-epoxidation of 1,3-di-tert-butyl bromoallene, TZVP basis set, B3LYP, empiricaldispersion=gd3bj

    Imperial College London

    Date added: 2017-2-4

  • other

    Transition state for 2,3-epoxidation of 1,3-di-tert-butyl bromoallene, TZVP basis set, B3LYP, empiricaldispersion=gd3bj

    Imperial College London

    Date added: 2017-2-4

  • data-set

    Transition states for deprotonation of 6-nitro-1,3-dimethylindolin-2-one

    Imperial College London

    Date added: 2016-3-9

  • other

    Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Two amine system: reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Two-amine system: reactant, PT

    Imperial College London

    Date added: 2017-2-3

  • data-set

    VAJHAP

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Water wB97XD/Def2-TZVPPD water

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Water wB97XD/aug-cc-pvdz water

    Imperial College London

    Date added: 2017-2-3

  • data-set

    XeF5

    Imperial College London

    Date added: 2017-2-3

  • data-set

    ZEYDOW

    Imperial College London

    Date added: 2017-2-3

  • data-set

    ZEYDOW WFN

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric Al(3-) centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric B centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric B(3-) centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric BH(2-) centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric C(-) centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric C(2-) centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric CH2 centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric N centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric N centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric NH2 centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric O centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric OH centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric P(-) centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric S centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric SH2 centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric Si(2-) centre

    Imperial College London

    Date added: 2017-2-3

  • data-set

    anomeric SiH2 centre

    Imperial College London

    Date added: 2017-2-3

  • other

    berger

    Imperial College London

    Date added: 2017-2-4

  • other

    blog

    Imperial College London

    Date added: 2016-3-20

  • data-set

    boronic new, C...N formation Shepherds proposal C...N IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    boronic new, C...N formation Shepherds proposal C...N TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    boronic new, C...N formation Sheppards proposal C...N, product TI

    Imperial College London

    Date added: 2017-2-3

  • data-set

    boronic new, C...N formation Sheppards proposal C...N, product after PT to O to form amide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    boronic new, C...N formation Sheppards proposal C...N, product after PT to O to form amide

    Imperial College London

    Date added: 2017-2-3

  • data-set

    boronic new, C...N formation Sheppards proposal C...N, reactants + 4H2O

    Imperial College London

    Date added: 2017-2-3

  • data-set

    boronic new, C...N formation Sheppards proposal C...N, reactants + 4H2O, PT

    Imperial College London

    Date added: 2017-2-3

  • data-set

    boronic new, C...N formation Sheppards proposal C...N, reactants as 4MeNH2 + 2MeB(OH)2 + MeCO2H

    Imperial College London

    Date added: 2017-2-3

  • data-set

    boronic new, C...N formation Sheppards proposal, O replacing bridging N TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    boronic new, C...N formation Sheppards proposal, O replacing bridging N IRC product TI, OH replacing NHMe

    Imperial College London

    Date added: 2017-2-3

  • data-set

    boronic new, C...N formation Sheppards proposal, O replacing bridging N IRC product amide after PT, lower energy

    Imperial College London

    Date added: 2017-2-3

  • data-set

    boronic new, C...N formation Sheppards proposal, O replacing bridging N TS, OH replacing NHMe

    Imperial College London

    Date added: 2017-2-3

  • data-set

    boronic new, C...N formation Sheppards proposal, reactant without B...O=C coordination

    Imperial College London

    Date added: 2017-2-3

  • data-set

    boronic new, C...N formation Sheppards proposal, reactant without B...O=C coordination No PT from acid

    Imperial College London

    Date added: 2017-2-3

  • data-set

    boronic new, C...N formation Sheppards proposal, resting state with B...O=C bond formed

    Imperial College London

    Date added: 2017-2-3

  • data-set

    boronic new, reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    boronic new, reactant

    Imperial College London

    Date added: 2017-2-3

  • other

    braddock

    Imperial College London

    Date added: 2016-3-31

  • data-set

    butadiene carbene antiaromatic guess=alter -192.691607

    Imperial College London

    Date added: 2017-2-3

  • data-set

    butadiene carbene aromatic -192.700746

    Imperial College London

    Date added: 2017-2-3

  • data-set

    concerted opening of protonated epoxide cation by methanol TS C...O formation

    Imperial College London

    Date added: 2017-2-3

  • data-set

    concerted opening of protonated epoxide cation by methanol saddle=1

    Imperial College London

    Date added: 2017-2-3

  • data-set

    cpTiCh

    Imperial College London

    Date added: 2017-2-3

  • data-set

    cpTiCh

    Imperial College London

    Date added: 2017-2-3

  • data-set

    cyanoboronic new, reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    cyclo_3_-benzene

    Imperial College London

    Date added: 2017-1-30

  • data-set

    cyclo_3_-benzene optrot

    Imperial College London

    Date added: 2017-2-3

  • data-set

    cyclo_3_-benzene optrot TPSSh

    Imperial College London

    Date added: 2017-2-3

  • data-set

    cyclo_3_-benzene optrot TPSSh nstates=100

    Imperial College London

    Date added: 2017-2-3

  • data-set

    cyclo_3_-benzene vcd

    Imperial College London

    Date added: 2017-1-30

  • data-set

    cyclo_6_-benzene

    Imperial College London

    Date added: 2017-2-3

  • data-set

    cyclopentadienyl lithium

    Imperial College London

    Date added: 2017-2-3

  • data-set

    decarboxylative claisen R1=R2=Me, CN, DCM

    Imperial College London

    Date added: 2017-2-3

  • data-set

    decarboxylative claisen R1=R2=Me, CN, DCM IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    decarboxylative claisen R1=R2=Me, CN, DCM OTMS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    decarboxylative claisen R1=R2=Me, CN, DCM OTMS IRC

    Imperial College London

    Date added: 2016-6-16

  • data-set

    decarboxylative claisen R1=R2=Me, CN, DCM iso

    Imperial College London

    Date added: 2017-2-3

  • data-set

    decarboxylative claisen R1=R2=Me, CN, DCM iso OTMS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    dimethyl mercury dimer Def2-TZVPPD

    Imperial College London

    Date added: 2017-1-30

  • data-set

    enol + Me4N(+).F(-) Product

    Imperial College London

    Date added: 2016-5-30

  • data-set

    enol + Me4N(+).F(-) 5-coordinate intermediate F axial

    Imperial College London

    Date added: 2016-5-30

  • data-set

    enol + Me4N(+).F(-) Reactant

    Imperial College London

    Date added: 2016-5-30

  • data-set

    enol + Me4N(+).F(-) Reactant Def2-TZVPPD

    Imperial College London

    Date added: 2016-5-30

  • data-set

    epoxide cation by methanol, product oxonium cation as resting state, MeOH in 9

    Imperial College London

    Date added: 2017-2-3

  • data-set

    epoxide starting material for ring opening

    Imperial College London

    Date added: 2017-2-3

  • data-set

    glycine, water continuum, 5 explicit water

    Imperial College London

    Date added: 2017-1-30

  • data-set

    glycine, water continuum, 5 explicit water alt

    Imperial College London

    Date added: 2017-2-3

  • data-set

    glycine, water continuum, 5 explicit water alt2

    Imperial College London

    Date added: 2017-2-3

  • data-set

    glycine, water continuum, 5 explicit water alt3

    Imperial College London

    Date added: 2017-1-30

  • data-set

    glycine, water continuum, no explicit water

    Imperial College London

    Date added: 2017-2-3

  • data-set

    hydrogen peroxide + 9H2O

    Imperial College London

    Date added: 2017-2-3

  • data-set

    hydronium hydroxide 6-311++G(d,p) C3 + 9H2O IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    hydronium hydroxide 6-311++G(d,p) C3 + 9H2O IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    hydronium hydroxide 6-311++G(d,p) C3 + 9H2O IRC recalc=all

    Imperial College London

    Date added: 2017-2-3

  • data-set

    hydronium hydroxide 6-311++G(d,p) C3 + 9H2O IRC recalc=all

    Imperial College London

    Date added: 2017-2-3

  • data-set

    hydronium hydroxide 6-311++G(d,p) C3 + 9H2O IRC recalc=all

    Imperial College London

    Date added: 2017-2-3

  • data-set

    hydronium hydroxide 6-311++G(d,p) C3 + 9H2O IRC recalc=all

    Imperial College London

    Date added: 2017-2-3

  • data-set

    hydronium hydroxide 6-311++G(d,p) C3 + 9H2O IRC recalc=all

    Imperial College London

    Date added: 2017-2-3

  • data-set

    hydronium hydroxide Def2-TZVPPD water C3 + 9H2O alt

    Imperial College London

    Date added: 2017-2-3

  • data-set

    hydroxylamine + 9H2O,

    Imperial College London

    Date added: 2017-2-3

  • data-set

    hydroxylamine + 9H2O, ion pair

    Imperial College London

    Date added: 2017-2-3

  • data-set

    imine N + DMDO

    Imperial College London

    Date added: 2017-2-3

  • data-set

    imine pi + DMDO

    Imperial College London

    Date added: 2017-2-3

  • data-set

    imine-N oxide pi + DMDO

    Imperial College London

    Date added: 2017-2-3

  • data-set

    imine-N oxide pi + DMDO IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    ionic, 1,3-dipole formation + Tosylate, reactant ,Me-OPh, tert-butyl

    Imperial College London

    Date added: 2017-2-3

  • data-set

    ionic, 1,3-dipole formation + Triflate, reactant ,Me-OPh, tert-butyl, lower?

    Imperial College London

    Date added: 2017-2-3

  • data-set

    ionic, NN contraction + NMe3 to sequester proton, TS,Me-OPh, tert-butyl

    Imperial College London

    Date added: 2017-2-3

  • data-set

    iron oxalate singlet

    Imperial College London

    Date added: 2017-2-3

  • data-set

    linear coiled polyacetylene with CH2 caps

    Imperial College London

    Date added: 2017-2-3

  • data-set

    linear coiled polyacetylene with CH2 caps freq

    Imperial College London

    Date added: 2017-2-3

  • data-set

    m-benzyne

    Imperial College London

    Date added: 2017-1-30

  • data-set

    methand dummy

    Imperial College London

    Date added: 2017-2-3

  • data-set

    methane test

    Imperial College London

    Date added: 2016-3-9

  • data-set

    nh4OH, 3 waters on OH, 2 on NH4 ts

    Imperial College London

    Date added: 2017-2-3

  • data-set

    nh4OH, 4 waters TS cs NH4 product

    Imperial College London

    Date added: 2017-2-3

  • data-set

    nh4OH, 6 waters IRC NH3 product iso

    Imperial College London

    Date added: 2017-2-3

  • data-set

    nh4OH, 6 waters IRC NH4 product iso

    Imperial College London

    Date added: 2017-2-3

  • data-set

    nh4OH, 9 waters IRC NH3 product

    Imperial College London

    Date added: 2017-2-3

  • data-set

    oxonium cation 1 x-ray conformation

    Imperial College London

    Date added: 2017-2-3

  • data-set

    oxonium cation 12...(-) OMe x-ray conformation methanol TS Def2-TZVPPD, reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    oxonium cation 12...Br x-ray conformation methanol TS

    Imperial College London

    Date added: 2017-2-3

  • data-set

    oxonium cation 12...Br(-) x-ray conformation methanol TS Def2-TZVPPD, reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    oxonium cation 12...Br(-) x-ray conformation methanol TS Def2-TZVPPD, reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    oxonium cation 12...Br(-) x-ray conformation methanol TS Def2-TZVPPD, reactant

    Imperial College London

    Date added: 2017-2-3

  • data-set

    phenol triflate Def2-TZVVPD (+ water continuum), O protonated

    Imperial College London

    Date added: 2017-2-3

  • data-set

    phenol triflate Def2-TZVVPD (+ n-MethylFormamide-mixture continuum), C4 protonated

    Imperial College London

    Date added: 2017-2-3

  • data-set

    phenol triflate Def2-TZVVPD (+ n-MethylFormamide-mixture continuum), C4 protonated, app

    Imperial College London

    Date added: 2017-2-3

  • data-set

    phenol triflate Def2-TZVVPD (+ n-MethylFormamide-mixture continuum), O protonated

    Imperial College London

    Date added: 2017-2-3

  • data-set

    phenol triflate Def2-TZVVPD (+ water continuum), C4 protonated

    Imperial College London

    Date added: 2017-2-3

  • data-set

    pinned-polar

    Imperial College London

    Date added: 2017-2-3

  • other

    plater

    Imperial College London

    Date added: 2016-4-4

  • data-set

    propofol p-chloromercurate 199Hg NMR

    Imperial College London

    Date added: 2017-2-3

  • data-set

    protonated epoxide cation from X-ray analogue

    Imperial College London

    Date added: 2017-2-3

  • data-set

    single, double, triple Cr-N bonds as anion in CDCl3

    Imperial College London

    Date added: 2017-2-3

  • other

    spivey

    Imperial College London

    Date added: 2017-1-30

  • data-set

    t-butyl bromoallene epoxide, Chris TZVP acetone TS iso

    Imperial College London

    Date added: 2017-2-3

  • data-set

    tert-butyl 6-(dimethylamino)-2-methylindoline-1-carboxylate

    Imperial College London

    Date added: 2017-2-3

  • data-set

    tert-butyl 6-amino-2-methylindoline-1-carboxylate

    Imperial College London

    Date added: 2017-2-3

  • data-set

    tert-butyl 6-amino-2-methylindoline-1-carboxylate

    Imperial College London

    Date added: 2017-2-3

  • data-set

    test

    Imperial College London

    Date added: 2017-2-3

  • data-set

    test

    Imperial College London

    Date added: 2017-2-3

  • data-set

    test

    Imperial College London

    Date added: 2017-2-3

  • data-set

    test

    Imperial College London

    Date added: 2017-2-3

  • data-set

    test

    Imperial College London

    Date added: 2017-2-3

  • data-set

    test

    Imperial College London

    Date added: 2017-2-3

  • data-set

    test

    Imperial College London

    Date added: 2017-2-3

  • data-set

    test

    Imperial College London

    Date added: 2017-2-3

  • data-set

    tricyano amino m-benzyne

    Imperial College London

    Date added: 2017-1-30

  • data-set

    trimethyl silyl enol + Me4N(+).F(-) 5-coordinate intermediate

    Imperial College London

    Date added: 2016-5-30

  • data-set

    trimethyl silyl enol + Me4N(+).F(-) 5-coordinate intermediate Berry pseudorotation TS

    Imperial College London

    Date added: 2016-5-30

  • data-set

    trimethyl silyl enol + Me4N(+).F(-) 5-coordinate intermediate Berry pseudorotation TS IRC

    Imperial College London

    Date added: 2016-5-30

  • data-set

    trimethyl silyl enol + Me4N(+).F(-) 5-coordinate intermediate F axial TS

    Imperial College London

    Date added: 2016-5-30

  • data-set

    trimethyl silyl enol + Me4N(+).F(-) 5-coordinate intermediate F axial TS IRC

    Imperial College London

    Date added: 2016-5-30

  • data-set

    trimethyl silyl enol + Me4N(+).F(-) 5-coordinate intermediate F axial TS1 Def2-TZVPPD

    Imperial College London

    Date added: 2016-5-30

  • data-set

    trimethyl silyl enol + Me4N(+).F(-) 5-coordinate intermediate F/O axial

    Imperial College London

    Date added: 2016-5-30

  • data-set

    trimethyl silyl enol + Me4N(+).F(-) TS

    Imperial College London

    Date added: 2016-5-30

  • data-set

    trimethyl silyl enol + Me4N(+).F(-) TS IRC

    Imperial College London

    Date added: 2016-5-30

  • data-set

    trimethyloxonium + Br(-) TS Def2-TZVPPD

    Imperial College London

    Date added: 2017-2-3

  • data-set

    trimethyloxonium + Br(-) TS Def2-TZVPPD IRC

    Imperial College London

    Date added: 2017-2-3

  • data-set

    trimethyloxonium + MeOH TS Def2-TZVPPD

    Imperial College London

    Date added: 2017-2-3

  • data-set

    trimethyloxonium + MeOH TS Def2-TZVPPD

    Imperial College London

    Date added: 2017-2-3

  • data-set

    trimethyloxonium + MeOH TS Def2-TZVPPD

    Imperial College London

    Date added: 2017-2-3

  • data-set

    x-ray conformation methanol TS Def2-TZVPPD BF4 ion pair, bottom face, NBO

    Imperial College London

    Date added: 2017-2-3

  • other

    σ or π nucleophilic reactivity of imines

    Imperial College London

    Date added: 2017-2-3

  • data-set

    σ or π nucleophilic reactivity of imines? A mechanistic twist emerges

    Imperial College London

    Date added: 2017-2-3

  • other

    σ or π nucleophilic reactivity of imines? A mechanistic twist emerges

    Imperial College London

    Date added: 2017-2-3

  • data-set

    Atropisomerism in Taxol intermediates

    Imperial College London

    Date added: 2016-3-9

  • other

    Chemo-Selective Polymerizations Using Mixtures of Epoxide, Lactone, Anhydride and CO2

    Figshare

    Date added: 2017-2-4

  • other

    Chemo-Selective Polymerizations Using Mixtures of Epoxide, Lactone, Anhydride and CO2

    Figshare

    Date added: 2017-2-4

  • data-set

    Chiroptical studies on brevianamide B: Vibrational and Electronic Circular Dichroism confronted

    Figshare

    Date added: 2017-2-4

  • other

    Chiroptical studies on brevianamide B: Vibrational and Electronic Circular Dichroism confronted

    Figshare

    Date added: 2017-2-4

  • other

    Computation data for http://www.ch.ic.ac.uk/rzepa/blog/

    Imperial College London

    Date added: 2016-3-9

  • data-set

    Computed conformations of cis-dinaphthylethene 1

    Figshare

    Date added: 2017-2-4

  • other

    Computed conformations of cis-dinaphthylethene 1

    Figshare

    Date added: 2017-2-4

  • other

    DOI-to-data

    Figshare

    Date added: 2017-2-4

  • data-set

    Figure 10. Chemo-Selective Polymerizations Using Mixtures of Epoxide, Lactone, Anhydride and CO2. Figure 13

    Figshare

    Date added: 2017-2-4

  • data-set

    Figure 10. Chemo-Selective Polymerizations Using Mixtures of Epoxide, Lactone, Anhydride and CO2. Figure 13

    Figshare

    Date added: 2017-2-4

  • data-set

    Figure 11. Chemo-Selective Polymerizations Using Mixtures of Epoxide, Lactone, Anhydride and CO2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for Br4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for Br4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for Br4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for Br4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for Br4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for Br4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH11O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH11O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH13O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH13O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH5O2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH5O2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH5O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH5O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH7O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH7O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH9O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for BrH9O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C10H22N2Si

    Figshare

    Date added: 2017-2-2

  • other

    Gaussian Job Archive for C10H22N2Si

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C10H22N2Si

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C10H22N2Si

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C11H20N2O4

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C11H20N2O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C11H21ClN2O4

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C11H21ClN2O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H14BeFN3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H14BeFN3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H14BeFN3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H14BeFN3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H14BeFN3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H14BeFN3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H14N3NaO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H14N3NaO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H15BeN3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H15BeN3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H15N3O2S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H15N3O2S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H15N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H15N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H15N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H15N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H16BN3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H16BN3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H16BN3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H16BN3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H16LiN3O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H16LiN3O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H17N3O3Si

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H17N3O3Si

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H18LiN3O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H18LiN3O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C13H24AlLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H10F2O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H10F2O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H10F2O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H10F2O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H12O2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H12O2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H14N2OS

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H14N2OS

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H14N2OS

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H14N2OS

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H14N2OS

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H14N2OS

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H14N2OS

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H14N2OS

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H14N2OS

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H14N2OS

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H14N2OS

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H14N2OS

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H14N2OS

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H14N2OS

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H14N2OS

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    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H14N2OS

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C14H22Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C15H15NO2S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C15H15NO2S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C17H40Al2Li2O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C17H40Al2Li2O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C17H40Al2Li2O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C17H40Al2Li2O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C17H40Al2Li2O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C17H40Al2Li2O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C18H30Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C18H30Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C18H30Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C18H30Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C18H36N2O6Rb(2)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C18H36N2O6Rb(2)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C18H36N2O6Rb(2)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C18H36N2O6Rb(2)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C18H36N2O6Rb(2)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C18H36N2O6Rb(2)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C19H18N2O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C19H18N2O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C19H18N2O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C19H18N2O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C19H18N2O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C19H18N2O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C19H18N2O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C19H18N2O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C19H23NaO7S

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C19H23NaO7S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C20H20Cl2O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C20H20Cl2O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C20H20Cl2O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C20H20Cl2O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C20H20Cl2O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C20H20Cl2O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C20H20Cl2O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C20H20Cl2O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C20H20Cl2O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C20H20Cl2O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C20H20Cl2O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C20H20Cl2O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C20H20Cl2O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C20H20Cl2O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C20H22BrCl2NO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C20H22BrCl2NO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H23N3O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H28O7

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H28O7

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H32OS2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H32OS2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H32OS2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C21H32OS2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C24H20

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C25H34ClN3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C28H24O4

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C28H24O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C28H30N4O2

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C28H30N4O2

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C28H30N4O2

    Figshare

    Date added: 2017-2-2

  • other

    Gaussian Job Archive for C28H30N4O2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C28H32N4O6S

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C28H32N4O6S

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C28H32N4O6S

    Figshare

    Date added: 2017-2-2

  • other

    Gaussian Job Archive for C28H32N4O6S

    Figshare

    Date added: 2017-2-2

  • other

    Gaussian Job Archive for C29H43NO2Si

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C29H43NO2Si

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H12BLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H12BLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H12BLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H12BLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H12BLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H12BLiO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H14BLiO4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H14BLiO4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H14BLiO4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H14BLiO4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H14BLiO4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H14BLiO4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H18BLiO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H18BLiO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H18BLiO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H18BLiO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H18BLiO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H18BLiO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H18BLiO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H18BLiO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H18BLiO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H18BLiO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H5Cl

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H5Cl

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H5Cl

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H5Cl

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H5F6NO6S2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H5F6NO6S2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H5F6NO6S2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H5F6NO6S2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H7Al

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H7Al

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H7Al

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C2H7Al

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C30H36N4O6S

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C30H36N4O6S

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C30H36N4O6S

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C30H36N4O6S

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C30H36N4O6S

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C30H36N4O6S

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C30H36N4O6S

    Figshare

    Date added: 2017-2-2

  • other

    Gaussian Job Archive for C30H36N4O6S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C30H36N4O6S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C30H36N4O6S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C30H36N4O6S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C30H36N4O6S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C31H38N4O6S

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C31H38N4O6S

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C31H38N4O6S

    Figshare

    Date added: 2017-2-2

  • other

    Gaussian Job Archive for C31H38N4O6S

    Figshare

    Date added: 2017-2-2

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C42H46N6O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C4H7(2)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C4H7(2)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C4H7(2)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C4H7(2)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C5H4(2+)

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C5H4(2+)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C5H5Cl3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C5H5Cl3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C5H8Cl2O2

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C5H8Cl2O2

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C5H8Cl2O2

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C5H8Cl2O2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C5H8Cl2O2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C5H8Cl2O2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C60H92Si3

    Figshare

    Date added: 2017-2-2

  • other

    Gaussian Job Archive for C60H92Si3

    Figshare

    Date added: 2017-2-2

  • other

    Gaussian Job Archive for C60H92Si3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C60H92Si3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H10O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H10O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H13F5O5S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H13F5O5S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H13F5O5S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H13F5O5S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H14O5

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C6H14O5

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C6H14O5

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C6H14O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H14O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H14O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H15NO5

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C6H15NO5

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C6H15NO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H15NO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H16ClNO5

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C6H16ClNO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H16ClNO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H16ClNO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H16ClNO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H16ClNO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H16NO5(1+)

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C6H16NO5(1+)

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C6H16NO5(1+)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H16NO5(1+)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H16O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H16O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H16O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H16O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H18O7

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H18O7

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H18O7

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H18O7

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H20O8

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C6H20O8

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C6H20O8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H20O8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H20O8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H20O8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H20O8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H20O8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H20O8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H20O8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H20O8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H20O8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H20O8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H20O8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H20O8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H20O8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H5Br

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H5Br

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H5Br

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H5Br

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C6H6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6(5)

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C6H6(5)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6(7)

    Figshare

    Date added: 2017-1-30

  • other

    Gaussian Job Archive for C6H6(7)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br10

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br10

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br10

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br10

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br10

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br10

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br10

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br10

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br10

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br10

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br10

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br10

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br10

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br10

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H6Br8

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H8O2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C6H8O2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C70H114N2Si4

    Figshare

    Date added: 2017-2-2

  • other

    Gaussian Job Archive for C70H114N2Si4

    Figshare

    Date added: 2017-2-2

  • other

    Gaussian Job Archive for C70H114N2Si4

    Figshare

    Date added: 2017-2-2

  • other

    Gaussian Job Archive for C70H114N2Si4

    Figshare

    Date added: 2017-2-2

  • other

    Gaussian Job Archive for C70H114N2Si4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C70H114N2Si4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C70H114N2Si4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C70H114N2Si4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C70H114N2Si4(3)

    Figshare

    Date added: 2017-2-2

  • other

    Gaussian Job Archive for C70H114N2Si4(3)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C70H114N2Si4(3)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C70H114N2Si4(3)

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C7H11Cl

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C7H11Cl

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C7H13F3O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C7H13F3O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C7H13F3O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C7H13F3O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C7H13NO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C7H13NO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C7H5ClO2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C7H5ClO2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C7H5ClO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C7H5ClO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C8H12

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C8H12

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C8H13Cl

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C8H13Cl

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C8H13ClN2O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C8H13ClN2O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C8H13ClN2O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C8H13ClN2O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C8H13ClN2O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C8H13ClN2O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C8H13ClN2O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C8H13ClN2O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C8H13ClN2O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C8H13ClN2O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C8H22N2Si4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C8H22N2Si4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C9H12AlLiO

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for C9H12AlLiO

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH11NO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH11NO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH11NO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH11NO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH11NO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH11NO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH11NO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH11NO5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH13NO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH13NO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH13NO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH13NO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH3F3O4S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH3F3O4S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH3NO

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH3NO

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH3NO

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH3NO

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH4B11Cl11O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH4B11Cl11O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH4B11Cl11S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH4B11Cl11S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH5F3O5S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH5F3O5S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH5NO2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH5NO2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH5NO2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH5NO2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH7F3O6S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH7F3O6S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH7F3O6S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH7F3O6S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH7F3O6S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH7F3O6S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH7NO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH7NO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH7NO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH7NO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH9F3O7S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH9F3O7S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH9NO4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH9NO4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH9NO4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for CH9NO4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH11O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH11O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH12KO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH12KO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH12NaO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH12NaO6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH13O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH13O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH13O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH13O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH5O2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH5O2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH5O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH5O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH5O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH5O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH7O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH7O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH7O7

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH7O7

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH9O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH9O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH9O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for ClH9O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for F2S2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for F2S2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for FH11O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for FH11O5

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for FH13O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for FH13O6

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for FH3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for FH3O

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for FH5O2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for FH5O2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for FH5O5S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for FH5O5S

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for FH5O5Se

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for FH5O5Se

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for FH7O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for FH7O3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for FH9O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for FH9O4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for H3IO

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for H3IO

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for H3IO

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for H3IO

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for H5IO2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for H5IO2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for H5IO2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for H5IO2

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for H7IO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for H7IO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for H7IO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for H7IO3

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for H9IO4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for H9IO4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for H9IO4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for H9IO4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for I4

    Figshare

    Date added: 2017-2-4

  • other

    Gaussian Job Archive for I4

    Figshare

    Date added: 2017-2-4

  • data-set

    HCA 305 ASH TUTORIAL / Uoptutorial

    Figshare

    Date added: 2017-2-4

  • data-set

    HCA 333 UOP TUTORIAL / Uoptutorial

    Figshare

    Date added: 2017-2-4

  • data-set

    Henry Rzepa's blog: Chemistry with a twist

    Imperial College London

    Date added: 2016-6-14

  • other

    Interoperability for Data Repositories. Metadata-based procedures for Retrieving Data for Display or Mining Utilising Persistent (data-DOI) Identifiers

    Figshare

    Date added: 2017-2-4

  • other

    Interoperability for Data Repositories. Metadata-based procedures for Retrieving Data for Display or Mining Utilising Persistent (data-DOI) Identifiers

    Figshare

    Date added: 2017-2-4

  • other

    NSC1

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC100029

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC100078

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC100131

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC100761

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC100777

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC100889

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC101201

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC101558

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC102007

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC102034

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC102766

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC102789

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC102898

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC103002

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC103003

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC103010

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC103545

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC103962

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC10410

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC104129

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC104272

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC105617

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC105686

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC105691

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC1060

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC106184

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC106185

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC106189

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC106392

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC106468

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC106976

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC1079

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC108096

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC108167

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC108220

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC108726

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC108735

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC108774

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC109129

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC109187

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC109851

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC109957

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC110257

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC110671

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC111568

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC111702

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC111925

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC11211

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC112334

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC112476

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC112508

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC112519

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC112535

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC113063

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC113135

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC11366

    Imperial College London

    Date added: 2016-6-15

  • other

    NSC11374

    Imperial College London

    Date added: 2016-6-15

  • other

    NSC113878

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC113923

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC114093

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC114115

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC114126

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC114647

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC115082

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC115492

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC115627

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC116258

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC116453

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC116472

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC116539

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC116811

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC116812

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC11694

    Imperial College London

    Date added: 2016-6-15

  • other

    NSC117453

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC117599

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC11769

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC117839

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC118659

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC118768

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC119584

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC119860

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC120543

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC120748

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC121393

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC121455

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC12168

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC122146

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC122280

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC122281

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC122679

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC122864

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC122952

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC123416

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC123432

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC123450

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC123469

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC124232

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC124476

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC125178

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC125345

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC125602

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC125880

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC12611

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC126124

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC126879

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC12751

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC127848

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC127926

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC127931

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC12856

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC128578

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC129830

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC130060

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC131674

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC131924

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC131932

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC131939

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC131943

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC131948

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC131988

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC13233

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC133483

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC133826

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC13426

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC134483

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC134492

    Imperial College London

    Date added: 2016-6-17

  • other

    NSC134508

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC134517

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC134904

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC134947

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC135076

    Imperial College London

    Date added: 2016-6-13

  • other

    NSC135079

    Imperial College London

    Date added: 2016-6-16

  • other

    NSC135442

    Imperial College London

    Date added: 2016-6-14

  • other

    NSC135746

    Imperial College London

    Date added: 2016-6-13