Quasiclassical trajectory calculations comparing the reactivity and dynamics of symmetric and asymmetric stretch and the role of the bending mode excitations of methane in the Cl+CH4 reaction-Reference-Cited by-同舟云学术

Quasiclassical trajectory calculations comparing the reactivity and dynamics of symmetric and asymmetric stretch and the role of the bending mode excitations of methane in the Cl+CH4 reaction

Published:2006-02-21 Issue:7 Volume:124 Page:074312
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Sansón J.,Corchado J. C.,Rangel C.,Espinosa-Garcia J.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.2172608

Reference32 articles.

1. The relative reactivity of the stretch–bend combination vibrations of CH4 in the Cl (2P3/2)+CH4 reaction

2. Comparing the dynamical effects of symmetric and antisymmetric stretch excitation of methane in the Cl+CH4 reaction

3. Picturing the Transition-State Region and Understanding Vibrational Enhancement for the Cl + CH4 → HCl + CH3 Reaction

4. Analytical potential energy surface for the CH4+Cl→CH3+ClH reaction: Application of the variational transition state theory and analysis of the kinetic isotope effects

5. Potential energy surface, thermal, and state-selected rate coefficients, and kinetic isotope effects for Cl+CH4→HCl+CH3

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