Conformational energy of glycine in aqueous solutions and relative stability of the zwitterionic and neutral forms. An ab initio study
โ Scribed by Bonaccorsi, R.; Palla, P.; Tomasi, J.
- Book ID
- 124078149
- Publisher
- American Chemical Society
- Year
- 1984
- Tongue
- English
- Weight
- 808 KB
- Volume
- 106
- Category
- Article
- ISSN
- 0002-7863
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๐ SIMILAR VOLUMES
The conformational properties of bilirubin present a considerable interest from the medical and biological points of view, because of the toxic pigment peculiar solubility features. Therefore, ab initio geometry optimizations at the 3-21GrSCF level were carried out on a few model-built structures of
The conformation of the L-alanine zwitterion (ALAZ) in aqueous solution was examined by an ab initio MO method including the solvent effect with the generalized Born (GB) equation. The geometry optimization with the 6-31++G\* basis set gave the (, ) = (80, 8) conformation as the most stable conforma