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Conformational Preferences and Internal Rotation in Alkyl- and Phenyl-Substituted Thiourea Derivatives

✍ Scribed by Bryantsev, Vyacheslav S.; Hay, Benjamin P.


Book ID
118118239
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
646 KB
Volume
110
Category
Article
ISSN
1089-5639

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A PCILO Study of Conformation and Intern
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## Abstract The effect of __KΓ©kulΓ©__ representation and hybrid function of O‐atoms in the PCILO‐CNDO framework of conformation and internal rotation in mono‐sub stituted benzenes Ph‐X (Xο£ΎNH~2~, OH, OCH~3~, CH~3~, CHO, NO~2~) is studied. Three variational criteria for the choice of the appropriate t