TITLE

Kinematic mass model of activated bimolecular reactions: Molecular shape effects and zero-point

AUTHOR(S)
Perdih, Marko; Miklavc, Adolf; Smith, Ian W.M.
PUB. DATE
April 1997
SOURCE
Journal of Chemical Physics;4/1/1997, Vol. 106 Issue 13, p5478
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Focuses on the proposed simple collision model of activated bimolecular reactions which takes into account the nonspherical shape of molecules and includes the effects of reagent rotation. Improvement of the original model to include the zero-point energy corrections on the assumption of vibrational adiabaticity en route to the barrier.
ACCESSION #
4303149

 

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