An investigation of the F+H-2 reaction based on a full ab initio description of the open-shell character of the F(P-2) atom

An investigation of the F+H-2 reaction based on a full ab initio description of the open-shell character of the F(P-2) atom

Expanding on an earlier Communication [M. H. Alexander, H.-J. Werner, and D. E. Manolopoulos, J. Chem. Phys. 109, 5710 (1998)], we present here the full framework for the quantum treatment of . reactions of the fluorine atom with molecular hydrogen. This involves four potential energy surfaces (PESs...

書目詳細資料
Main Authors:	Alexander, M, Manolopoulos, D, Werner, H
格式:	Journal article
語言:	English
出版:	2000

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