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