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

Journal of Chemical Physics

Volumn 112, Issue 21, 2000, Pages 9375-9389

  Corchado, J C ^a   Truhlar, D G ^b   Espinosa Garcia J ^a  

^a UNIVERSITY OF EXTREMADURA   (Spain)

^b UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; CHLORINE; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; GROUND STATE; HYDROCHLORIC ACID; METHANE; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; OPTIMIZATION;

CANONICAL VARIATIONAL TRANSITION STATE THEORY; KINETIC ISOTOPE EFFECT; LARGE CURVATURE TUNNELING; MINIMUM ENERGY PATH; POTENTIAL ENERGY SURFACE; SMALL CURVATURE SEMICLASSICAL ADIABATIC GROUND STATE; THERMAL RATE COEFFICIENT; VIRIATIONAL TRANSITION STATE THEORY;

CHEMICAL REACTIONS;

EID: 0033691642     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481602     Document Type: Article

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