AM1 and PM3 semiempirical molecular orbital study of silatranes III. 1-Chlorosilatrane
β Scribed by G.I. Csonka; P. Hencsei
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 907 KB
- Volume
- 454
- Category
- Article
- ISSN
- 0022-328X
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π SIMILAR VOLUMES
Ab initio MP2/6-31G\*/ /MP2/6-31G\* and semiempirical AM1 and PM3 calculations on a series of differently substituted a-0x0-ketenes are used to investigate EIZ-isomerism and rotational barriers in these molecules. Sterically crowded derivatives are found to exist solely as s-E conformers. The unusua
The recent NMDO/M modification and parameterization of the MNDO molecular orbital method has been used to analyze intermolecular hydrogen bonding between amino acids and water, and intramolecular hydrogen bonding in monosaccharides. The results have been compared to AM1 calculations on the same syst
From the Ph. D. thesis of M . N . [l]. We call diepoxides 'open-chain' diepoxides, if they are not part of a larger ring system.
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