Thermal rate constant calculation using flux–flux autocorrelation functions: Application to Cl+H2→HCl+H reaction
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.474959
Reference30 articles.
1. On the “direct” calculation of thermal rate constants. II. The flux-flux autocorrelation function with absorbing potentials, with application to the O+HCl→OH+Cl reaction
2. Quantum Statistical Mechanical Theory of the Rate of Exchange Chemical Reactions in the Gas Phase
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4. Quantum mechanical transition state theory and a new semiclassical model for reaction rate constants
5. Evaluation of thermal rate constants in the eigenbasis of a Hamiltonian with an optical potential
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