Semiclassical approximations for the calculation of thermal rate constants for chemical reactions in complex molecular systems
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.476447
Reference70 articles.
1. “Direct” and “Correct” Calculation of Canonical and Microcanonical Rate Constants for Chemical Reactions
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3. Erratum: “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” [J. Chem. Phys. 106, 142 (1997)]
4. Thermal rate constant calculation using flux–flux autocorrelation functions: Application to Cl+H2→HCl+H reaction
5. Quantum Mechanical Pressure-Dependent Reaction and Recombination Rates for O + OH → H + O2, HO2
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