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The evolutionary structural optimization method: theoretical aspects

โœ Scribed by Pasi Tanskanen


Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
141 KB
Volume
191
Category
Article
ISSN
0045-7825

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โœ Gerald M. Maggiora ๐Ÿ“‚ Article ๐Ÿ“… 1974 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 540 KB

All valence-electron self-consistent field molecular orbital calculations (CNDO/2) were performed on the enol form of biotin and several Ncarboxy and O-carboxybiotin molecules. The electronic aspects of biotin carboxylation and decarboxylation or CO2 transfer were investigated. Enhanced nucleophilic