1,230 Works

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

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9336 Cite

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

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9339 Cite

Fluoroform-Benzene-B3LYP/aug-cc-pvdz

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9360 Cite

Fluoroform-Benzene-wb97xd/def2svpp

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9364 Cite

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

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9361 Cite

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

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9362 Cite

Fluoroform-Benzene-B3LYP+GD3BJ/def2svpp

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9357 Cite

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

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9346 Cite

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

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9197 Cite

p-C6H4F2-hexane-B3LYP+GD3BJ/def2svpp

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9389 Cite

p-C6H4F2-Acetone-B3LYP+GD3BJ/def2svpp

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9596 Cite

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

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9598 Cite

p-C6H4F2-Acetonitrile-wb97xd/def2svpp

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9597 Cite

allyldifluoroborane-wb97xd/def2svpp

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9416 Cite

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

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9412 Cite

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

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9620 Cite

Plot-MP2-aug-cc-pvdz

Alexandre Dumon
Results published via Imperial College London
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.
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9913 Cite

C6H5F-Cyclohexane-B3LYP+GD3BJ/def2svpp

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/8846 Cite

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

Alexandre Dumon
Results published via Imperial College London
Gaussian 16 (C01) calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9221 Cite

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

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/8219 Cite

IDOZOQ, NBO = triple 1-105

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/8198 Cite

TISQOE Re-O(+)

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/8211 Cite

TISQOE Re-O(+)

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/8214 Cite

TISQOE W-O

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/8213 Cite

TISQOE Os-O(2+)

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/8210 Cite

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

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