Finding transition states using contangency curves

Ulitsky, Alex; Shalloway, David
June 1997
Journal of Chemical Physics;6/22/1997, Vol. 106 Issue 24, p10099
Academic Journal
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.


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