Tests of potential energy surfaces for H+CH4↔CH3+H2: Deuterium and muonium kinetic isotope effects for the forward and reverse reaction

Journal of Chemical Physics

Volumn 117, Issue 23, 2002, Pages 10675-10687

  Pu, Jingzhi ^a   Truhlar, Donald G ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CALCULATIONS; DEUTERIUM; HYDROGEN; ISOTOPES; METHANE; MOLECULAR VIBRATIONS; POTENTIAL ENERGY; RATE CONSTANTS; SURFACES; TEMPERATURE;

FORWARD REACTION RATE CONSTANTS; MULTIDIMENSIONAL TUNNELING DYNAMICS CALCULATIONS; MUONIUM KINETIC ISOTOPE EFFECTS; POTENTIAL ENERGY SURFACES; PROTIUM; SPECIFIC REACTION PARAMETERS; VARIATIONAL TRANSITION STATE THEORY;

MOLECULAR DYNAMICS;

EID: 0037115858     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1518471     Document Type: Article

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