Author:
Grignon Jacques,Fliszár Sándor
Abstract
The experimental geometries of a number of alkyl-substituted ethylenes are satisfactorily reproduced by PCILO calculations. Deficiencies appear, however, with linear substituents, e.g., in 1-butene and 1-pentene. The experimental trends for the HCH angles are in general reflected but over emphasized by the PCILO method.
Publisher
Canadian Science Publishing
Subject
Organic Chemistry,General Chemistry,Catalysis
Cited by
6 articles.
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