The CαC internal rotation in α-alkyl sub
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J. J. C. Teixeira-Dias; R. Fausto; L. A. E. Batista de Carvalho
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Article
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1991
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John Wiley and Sons
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English
⚖ 946 KB
The C, -C internal rotation in 2-methylpropionic, 2-methylthiopropionic (thiol and thion forms) and 2methyldithiopropionic acids was studied by the ab initio SCF-MO method using 3-21G and 3-21G + d(0.65S) basis sets. Energies and structures of several conformations of these molecules, determined by