1,426 Works

trifluoroacetic acid anhydride

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/9691 Cite

CCl4-CFCl3-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/9932 Cite

CCl4-CFCl3-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/9933 Cite

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

Silvia Diez-Gonzalez
Results published via Imperial College London
NMR data for azridine 4jd
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9047 Cite

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

Silvia Diez-Gonzalez
Results published via Imperial College London
NMR data for aziridine trans-4bo
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9063 Cite

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

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/9435 Cite

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

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/9437 Cite

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

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/9440 Cite

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

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/9447 Cite

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

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/9449 Cite

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

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/9452 Cite

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

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/9453 Cite

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

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/9459 Cite

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

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/9425 Cite

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

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/9427 Cite

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

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/9429 Cite

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

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/9431 Cite

C2 G = -75.790395

Henry Rzepa
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/9892 Cite

Test-visualization

Alexandre Dumon
Results published via Imperial College London
Test-vizualization
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/9538 Cite

React, Me2S-CC + Dihydroanthracene G = -1094.594027

Henry Rzepa
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/9864 Cite

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

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/9527 Cite

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

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/9533 Cite

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

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/9504 Cite

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

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/9509 Cite

1,1-Pyridinium-CC + Dihydroanthracene, TS

Henry Rzepa
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/9853 Cite

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

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