Temperature dependence of the rate constant of ionic analogs of H + H 2 → H 2 + H reaction by quantum instanton method

International Journal of Quantum Chemistry

Volumn 112, Issue 4, 2012, Pages 1107-1113

  Buchowiecki, Marcin ^a  

^a UNIVERSITY OF SZCZECIN   (Poland)

Author keywords

deviations from Arrhenius law; hydrogen exchange reaction; path integral Monte Carlo; quantum instanton; thermal rate constant

Indexed keywords

ARRHENIUS LAW; HYDROGEN EXCHANGE REACTION; INSTANTONS; PATH INTEGRAL MONTE CARLO; THERMAL RATE CONSTANT;

ARRHENIUS PLOTS; HYDROGEN; QUANTUM THEORY; RATE CONSTANTS; TEMPERATURE DISTRIBUTION;

MONTE CARLO METHODS;

EID: 84855897696     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.23091     Document Type: Article

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