1,155 Works
tetrodotoxin, neutral form 3 iso G=-1195.339160
Henry Rzepa
Gaussian Calculation
The structure of tetrodotoxin as a free base
Henry Rzepatetrodotoxin, neutral form 3 iso + CHCl3 G= -2614.673269
Henry Rzepa
Gaussian Calculation
1-Chloro-4-(4-methylpent-3-en-1-yl)benzene (7g)
Karim Bahou
(7g)
tetrodotoxin, neutral form 3 iso + 3H2O G=-1424.663778
Henry Rzepa
Gaussian Calculation
tetrodotoxin, neutral form 3 + 1CHCl3 E= -2614.95304 G=-2614.673681
Henry Rzepa
Gaussian Calculation
Conformational analysis of buten-2-ol, 2 G=-233.689819
Henry Rzepa
Gaussian Calculation
Conformational analysis of buten-2-ol, 1 G=-233.689769
Henry Rzepa
Gaussian Calculation
Conformational analysis of buten-2-ol, 7 G=-233.688183, optrot = -0.57
Henry Rzepa
Gaussian Calculation
Conformational analysis of buten-2-ol, 2 G=-233.689819, optrot = -35.38
Henry Rzepa
Gaussian Calculation
(R )-1,2-dichloropropane conf 2 G=-1038.409198, optrot = 86.62
Henry Rzepa
Gaussian Calculation
1,2-dichloropropane conf 2 G=-1038.409198
Henry Rzepa
Gaussian Calculation
(s)-lactic acid 5
Henry Rzepa
Gaussian Calculation
R-glyceraldehyde 1
Henry Rzepa
Gaussian Calculation
R-glyceraldehyde 4
Henry Rzepa
Gaussian Calculation
R-glyceraldehyde 5
Henry Rzepa
Gaussian Calculation
R-glyceraldehyde 6 diol
Henry Rzepa
Gaussian Calculation
R-glyceraldehyde 4 diol
Henry Rzepa
Gaussian Calculation
R-glyceraldehyde 1 + H2O iso G = -420.149776
Henry Rzepa
Gaussian Calculation