TITLE

Reaction-path dynamics with harmonic vibration frequencies in curvilinear internal coordinates:

AUTHOR(S)
Yao-Yuan Chuang; Truhlar, Donald G.
PUB. DATE
July 1997
SOURCE
Journal of Chemical Physics;7/1/1997, Vol. 107 Issue 1, p83
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Presents a general method for treating doubly generate bending vibration frequencies of curvilinear internal coordinates. Treatment improving the generalized normal mode frequencies; Need for constant rate calculations with variational transition state theory.
ACCESSION #
4283855

 

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