Quantum calculations of the temperature dependence of the rate constant and the equilibrium constant for the NH 3 + H ⇌ NH 2 + H 2 reaction

Chemical Physics Letters

Volumn 531, Issue , 2012, Pages 202-205

  Buchowiecki, Marcin ^a  

^a UNIVERSITY OF SZCZECIN   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN ABSTRACTION; HYDROGEN ATOMS; INSTANTONS; LOW TEMPERATURES; PATH-INTEGRAL MONTE CARLO SIMULATIONS; QUANTUM CALCULATION; QUANTUM EFFECTS; QUANTUM MECHANICAL METHOD; TEMPERATURE DEPENDENCE; TEMPERATURE RANGE; THERMODYNAMIC INTEGRATION;

ARRHENIUS PLOTS; EQUILIBRIUM CONSTANTS; HYDROGEN; MONTE CARLO METHODS; QUANTUM CHEMISTRY; QUANTUM ELECTRONICS; RATE CONSTANTS;

TEMPERATURE DISTRIBUTION;

EID: 84858752145     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.01.075     Document Type: Article

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