1,426 Works

trifluoroacetic acid anhydride

Alexandre Dumon
Gaussian 16 (C01) calculation

CCl4-CFCl3-B3LYP+GD3BJ/aug-cc-pvdz

Alexandre Dumon
Gaussian 16 (C01) calculation

CCl4-CFCl3-B3LYP+GD3BJ/Def2svpp

Alexandre Dumon
Gaussian 16 (C01) calculation

4jd, 1-(2-isopropylphenyl)-N,N-dimethylaziridine-2-carboxamide

Silvia Diez-Gonzalez
NMR data for azridine 4jd

4bo, trans-dimethyl 1-(2-chlorophenyl)aziridine-2,3-dicarboxylate

Silvia Diez-Gonzalez
NMR data for aziridine trans-4bo

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-wb97xd/aug-cc-pvdz/Conformer7

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-wb97xd/aug-cc-pvdz/Conformer8

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-MP2/aug-cc-pvdz/OPT/Conformer9

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-MP2/aug-cc-pvdz/NMR/Conformer7

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-MP2/aug-cc-pvdz/NMR/Conformer8

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-MP2/aug-cc-pvdz/NMR/Conformer4

Alexandre Dumon
Gaussian 16 (C01) calculation

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

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-B3LYP/def2svpp/Conformer9

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-wb97xd/aug-cc-pvdz/Conformer1

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-wb97xd/aug-pcSseq1/Conformer8

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-wb97xd/aug-pcSseq1/Conformer6

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-wb97xd/aug-pcSseq1/Conformer4

Alexandre Dumon
Gaussian 16 (C01) calculation

C2 G = -75.790395

Henry Rzepa
Gaussian 16 (C01) calculation

Test-visualization

Alexandre Dumon
Test-vizualization

React, Me2S-CC + Dihydroanthracene G = -1094.594027

Henry Rzepa
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-MP2/aug-cc-pvdz/OPT/Conformer1

Alexandre Dumon
Gaussian 16 (C01) calculation

1-fluoro-2-nitrobenzene-wb97xd/aug-pcSseq1

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-B3LYP/def2svpp/Conformer3

Alexandre Dumon
Gaussian 16 (C01) calculation

2-2-3-3-4-4-5-5-octafluoropentan-1-ol-B3LYP+GD3BJ/aug-cc-pvdz/Conformer8

Alexandre Dumon
Gaussian 16 (C01) calculation

1,1-Pyridinium-CC + Dihydroanthracene, TS

Henry Rzepa
Gaussian 16 (C01) calculation

Registration Year

  • 2021
    1,426

Resource Types

  • Dataset
    1,426

Affiliations

  • Imperial College London
    1,426
  • University of Cambridge
    7
  • University College London
    4
  • Birkbeck, University of London
    4
  • University of Exeter
    3
  • Estación Biológica de Doñana
    2
  • Vrije Universiteit Amsterdam
    2
  • Zhejiang University
    2
  • University of Sussex
    2
  • Stanford University
    2