Dynamics of a prototype alkali-hydrogen-halide exchange reaction on an ab initio potential-energy surface

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Dynamics of a prototype alkali-hydrogen-halide exchange reaction on an ab initio potential-energy surface

We report the results of a quasiclassical trajectory (QCT) study of a prototype alkali-hydrogen-halide exchange reaction Li + FH → LiF + H on an ab initio potential-energy surface for collinear as well as non-collinear geometries. A vibrational threshold equal to that of the barrier (21 kcal mol−1)...

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Bibliographic Details
Main Author:	Ibrahim Ali , Noorbatcha
Format:	Article
Language:	English
Published:	Elsevier Ltd. 1984
Subjects:	QD Chemistry
Online Access:	http://irep.iium.edu.my/35867/ http://irep.iium.edu.my/35867/1/ChemPhys1983.pdf

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