Back to Search Start Over

Ab initio MO studies on the potential energy surface of the methyl chloride radical anion

Authors :
Reiko Yoshimura
Tsukasa Tada
Source :
Journal of the American Chemical Society. 114:1593-1595
Publication Year :
1992
Publisher :
American Chemical Society (ACS), 1992.

Abstract

The potential energy surface of the methyl chloride radical anion has been studied by ab initio molecular orbital theory. The following calculated results are obtained, different from the reported C-Cl dissociation potential curves: (1) A shallow least energy point (stationary point) is found within C 3υ symmetry in cases where dynamical correlation effects are taken into consideration

Details

ISSN :
15205126 and 00027863
Volume :
114
Database :
OpenAIRE
Journal :
Journal of the American Chemical Society
Accession number :
edsair.doi...........ef5381d5f1087cc0053298b9763100dc