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Ab initio studies of structural features not easily amenable to experiment: Part 39. Conformational analysis of glycine and alanine

✍ Scribed by K. Siam; V.J. Klimkowski; J.D. Ewbank; C. Van Alsenoy; Lothar Schäfer

Book ID
119116188
Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
657 KB
Volume
110
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