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Applications and Extensions of Statistical Theories

Authors :
William L. Hase
Tomas Baer
Source :
Unimolecular Reaction Dynamics
Publication Year :
1996
Publisher :
Oxford University Press, 1996.

Abstract

The RRKM rate constant as given by equation (6.73) in the previous chapter is expressed as a ratio of the sum of states in the transition state and the density of states in the reactant molecule. An accurate calculation of this rate constant requires that all vibrational anharmonicity and vibrational/rotational coupling be included in calculating the sum and density.

Subjects

Subjects :
Physics::Chemical Physics

Details

Database :
OpenAIRE
Journal :
Unimolecular Reaction Dynamics
Accession number :
edsair.doi...........f6aa1c752be62ee7994f576dbdc76d3f
Full Text :
https://doi.org/10.1093/oso/9780195074949.003.0009