Etude théorique d'hydrocarbures simples par la méthode PCILO

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.