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A preliminary crystallographic examination of 1:4-dithian

โœ Scribed by Dothie, H. J.

Book ID
114516220
Publisher
International Union of Crystallography
Year
1953
Tongue
English
Weight
236 KB
Volume
6
Category
Article
ISSN
0365-110X

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## Abstract __Ab initio__ molecular orbital theory with the 6โ€31G(d), 6โ€31G(d,p), 6โ€31+G(d), 6โ€31+G(d,p), 6โ€31+G(2d,p), 6โ€311G(d), 6โ€311G(d,p), and 6โ€311+G(2d,p) basis sets and density functional theory (BLYP, B3LYP, B3P86, B3PW91) have been used to locate transition states involved in the conforma