1,426 Works

MeF-CC dimerisation, 1,2 Def2-TZVPPD, reactant, G = -215.671419, 2G = -431.342838

Henry Rzepa
Gaussian Calculation

Py-CC 1,1-dimerisation, Def2-TZVPPD, G = -648.524263

Henry Rzepa
Gaussian Calculation

Dimethyl ketal hydrolysis using water, TS3, G = -576.676232 → -576.682927

Henry Rzepa
Gaussian Calculation

Direct oligonucleotide sequencing with nanopores

Thomas Heinis
Research data repository for 'Direct oligonucleotide sequencing with nanopores'. This research was financially supported by the European Union’s Horizon 2020 research and innovation programme under the grant agreement No 863320 (project Oligoarchive).

NMR data of 4-ethylphenyl 4-(tert-butyl)cyclohexane-1-carboxylate

Alban GEGOUT
These files are based on data from NMR analysis of the ester I have synthetized: 4-ethylphenyl 4-(tert-butyl)cyclohexane-1-carboxylate.

For the decay model

Shuai Wang
script used to reproduce the figures in the TC decay model pre landlord

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-wb97xd/def2svpp/Conformer1

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-wb97xd/def2svpp/Conformer6

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-MP2/aug-cc-pvdz/OPT/Conformer6

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-MP2/aug-cc-pvdz/OPT/Conformer3

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-B3LYP+GD3BJ/def2svpp/Conformer2

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-B3LYP/def2svpp/Conformer7

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-wb97xd/aug-pcSseq1/Conformer2

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-wb97xd/aug-cc-pvdz/Conformer4

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-wb97xd/aug-cc-pvdz/Conformer5

Alexandre Dumon
Gaussian 16 (C01) calculation

Me2S-CC + Dihydroanthracene, 1,1 TS G = -1094.521364

Henry Rzepa
Gaussian 16 (C01) calculation

CF3F2I-CC 1,2-dimerisation, Def2-TZVPPD, G = -1822.241919 DG = 11.1

Henry Rzepa
Gaussian 16 (C01) calculation

THF-CFCl3-B3LYP+GD3BJ/aug-cc-pvdz

Alexandre Dumon
Gaussian 16 (C01) calculation

benzyl 2-(pentafluoro-L6 -sulfanyl)acetate

Alexandre Dumon
Gaussian 16 (C01) calculation

pentafluoronitrobenzene

Alexandre Dumon
Gaussian 16 (C01) calculation

2-fluorobenzaldehyde

Alexandre Dumon
Gaussian 16 (C01) calculation

3-fluorobenzaldehyde

Alexandre Dumon
Gaussian 16 (C01) calculation

4-fluorophenol

Alexandre Dumon
Gaussian 16 (C01) calculation

1-nitro-3-(trifluoromethyl)- benzene

Alexandre Dumon
Gaussian 16 (C01) calculation

4-(trifluoromethoxy)benzonitrile

Alexandre Dumon
Gaussian 16 (C01) calculation

Registration Year

  • 2021
    1,426

Resource Types

  • Dataset
    1,426

Affiliations

  • Imperial College London
    1,426
  • University of Cambridge
    7
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    4
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  • Estación Biológica de Doñana
    2
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    2
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    2
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    2
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    2