1,230 Works

Fluoroform-DCM-MP2/aug-cc-pvdz/OPT

Alexandre Dumon
Gaussian 16 (C01) calculation

Fluoroform-Acetone-MP2/aug-cc-pvdz/NMR

Alexandre Dumon
Gaussian 16 (C01) calculation

Fluoroform-Benzene-B3LYP/aug-cc-pvdz

Alexandre Dumon
Gaussian 16 (C01) calculation

Fluoroform-Benzene-wb97xd/def2svpp

Alexandre Dumon
Gaussian 16 (C01) calculation

Fluoroform-Benzene-MP2/aug-cc-pvdz/NMR

Alexandre Dumon
Gaussian 16 (C01) calculation

Fluoroform-Benzene-MP2/aug-cc-pvdz/OPT

Alexandre Dumon
Gaussian 16 (C01) calculation

Fluoroform-Benzene-B3LYP+GD3BJ/def2svpp

Alexandre Dumon
Gaussian 16 (C01) calculation

BF3*THF-B3LYP+GD3BJ/aug-cc-pvdz

Alexandre Dumon
Gaussian 16 (C01) calculation

C6H5CF3-DMF-MP2/aug-cc-pvdz/NMR

Alexandre Dumon
Gaussian 16 (C01) calculation

p-C6H4F2-hexane-B3LYP+GD3BJ/def2svpp

Alexandre Dumon
Gaussian 16 (C01) calculation

p-C6H4F2-Acetone-B3LYP+GD3BJ/def2svpp

Alexandre Dumon
Gaussian 16 (C01) calculation

difluoro(phenyl)borane-hexan-B3LYP+GD3BJ/aug-cc-pvdz

Alexandre Dumon
Gaussian 16 (C01) calculation

p-C6H4F2-Acetonitrile-wb97xd/def2svpp

Alexandre Dumon
Gaussian 16 (C01) calculation

allyldifluoroborane-wb97xd/def2svpp

Alexandre Dumon
Gaussian 16 (C01) calculation

perfluoroprop-1-ene-Benzene-MP2/aug-cc-pvdz/NMR

Alexandre Dumon
Gaussian 16 (C01) calculation

2,2,2-trifluoroacetyl fluoride-Acetone-B3LYP+GD3BJ/def2svpp

Alexandre Dumon
Gaussian 16 (C01) calculation

Plot-MP2-aug-cc-pvdz

Alexandre Dumon
Regression plot at the MP2/aug-cc-pvdz level. The dashed lines correspond to the linear regressions for each level of calculations. The blue dots correspond to the trifluoro(4-fluorophenyl)borate, the orange dots correspond to the 2-2-3-3-4-4-5-5-octafluoropentan-1-ol, the golden dot corresponds to tris(2-2-2-trifluoroethyl) borate and the green dot to 1-fluoro-2-nitrobenzene.

C6H5F-Cyclohexane-B3LYP+GD3BJ/def2svpp

Alexandre Dumon
Gaussian 16 (C01) calculation

C6H5CF3-o-DCB-MP2/aug-cc-pvdz/NMR

Alexandre Dumon
Gaussian 16 (C01) calculation

Fe(+)C trigonal, quad pinned back, quad

Henry Rzepa
Gaussian Calculation

IDOZOQ, NBO = triple 1-105

Henry Rzepa
Gaussian Calculation

TISQOE Re-O(+)

Henry Rzepa
Gaussian Calculation

TISQOE Re-O(+)

Henry Rzepa
Gaussian Calculation

TISQOE W-O

Henry Rzepa
Gaussian Calculation

TISQOE Os-O(2+)

Henry Rzepa
Gaussian Calculation

Registration Year

  • 2021
    1,230

Resource Types

  • Dataset
    1,230

Affiliations

  • Imperial College London
    1,230
  • University of Cambridge
    4
  • University of Oxford
    4
  • Yale University
    3
  • University of Exeter
    3
  • Estación Biológica de Doñana
    2
  • Zhejiang University
    2
  • University of Sussex
    2
  • University of Notre Dame
    2
  • University of Georgia
    2