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Volumn 117, Issue 5, 2002, Pages 2076-2086

Potential energy surface for the CH3+HBr→CH4+Br hydrogen abstraction reaction: Thermal and state-selected rate constants, and kinetic isotope effects

(1) Espinosa Garcia J a

a UNIVERSITY OF EXTREMADURA (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; EIGENVALUES AND EIGENFUNCTIONS; ENTHALPY; FREE RADICALS; HYDROGEN BONDS; HYDROGEN INORGANIC COMPOUNDS; MATRIX ALGEBRA; METHANE; OPTIMIZATION; PERTURBATION TECHNIQUES; PHOTOLYSIS; TEMPERATURE;

BASIS SET SUPERPOSITION ERROR; HYDROGEN ABSTRACTION REACTION; KINETIC ISOTOPE EFFECTS; MOLECULAR ORBITAL THEORY; NEGATIVE TEMPERATURE DEPENDENCE; POTENTIAL ENERGY SURFACE; SEMICLASSICAL TRANSMISSION COEFFICIENTS; SPIN ORBIT COUPLING; STATE-SELECTED RATE CONSTANTS; THERMAL CORRECTIONS;

CHEMICAL REACTIONS;

EID: 0036679443 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1490917 Document Type: Article

Times cited : (21)

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