1,155 Works

tetrodotoxin, neutral form 3 iso G=-1195.339160

Henry Rzepa
Gaussian Calculation

The structure of tetrodotoxin as a free base

Henry Rzepa

tetrodotoxin, neutral form 3 iso + CHCl3 G= -2614.673269

Henry Rzepa
Gaussian Calculation

A sideways look at the mechanism of ester hydrolysis.

Henry Rzepa

1-Chloro-4-(4-methylpent-3-en-1-yl)benzene (7g)

Karim Bahou
(7g)

3-(6-(4-Chlorophenyl)-3-methylhex-3-en-1-yl)-2,2-dimethyloxirane (8g)

Karim Bahou
(8g)

(R)-4,4-Dimethyl-5-(3-methyl-6-phenylhex-3-en-1-yl)-2-phenyl-1,3,2-dioxaborolane ((R)-8j)

Karim Bahou
((R)-8j)

(S)-4,4-Dimethyl-5-(3-methyl-6-phenylhex-3-en-1-yl)-2-phenyl-1,3,2-dioxaborolane ((S)-8j)

Karim Bahou
((S)-8j)

(R,E)-5-(5-(Allyloxy)-3-methylpent-3-en-1-yl)-4,4-dimethyl-2-phenyl-1,3,2-dioxaborolane ((R)-5g)

Karim Bahou
((R)-5g)

tetrodotoxin, neutral form 3 iso + 3H2O G=-1424.663778

Henry Rzepa
Gaussian Calculation

(1S,4R)-2-(4-Methoxyphenethyl)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptane (11)

Karim Bahou
(11)

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

Registration Year

  • 2019
    1,155

Resource Types

  • Dataset
    1,155

Affiliations

  • Imperial College London
    1,155
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    3
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    2
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    1
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    1
  • National Museum of Natural History
    1
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    1
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    1
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    1