TITLE

Finding transition states using contangency curves

AUTHOR(S)
Ulitsky, Alex; Shalloway, David
PUB. DATE
June 1997
SOURCE
Journal of Chemical Physics;6/22/1997, Vol. 106 Issue 24, p10099
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Presents a method for approximating reaction paths and transition states of conformational transitions in polyatomic systems. Quasi-harmonic bi-Gaussian approximation; Contangency curve; Temperature dependence; Computational example.
ACCESSION #
4228053

 

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