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Ab initio studies of structural features not easily amenable to experiment: Part 24. Molecular structures and conformational analyses of the methyl esters of formic acid, acetic acid and alanine

✍ Scribed by C. Van Alsenoy; J.N. Scarsdale; Lothar Schäfer

Book ID
119115707
Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
389 KB
Volume
90
Category
Article
ISSN
0166-1280

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Ab initio studies of structural features
Ab initio studies of structural features not easily amenable to experiment. 18. Conformational analysis and molecular structure of glycine methyl ester
✍ Lother Schäfer; C. Van Alsenoy; J. N. Scarsdale; V. J. Klimkowski; J. D. Ewbank 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 322 KB

## Abstract The structures of four conformations of the methyl ester of glycine were determined by standard single‐determinant molecular orbital (MO) calculations using Pulay's force method and the 4‐21G basis set. The most stable conformation of this compound has a symmetry plane which contains al