Theoretical study of kinetic isotope effects on rate constants for the H2+C2H→H+C2H2 reaction and its isotopic variants

Journal of Chemical Physics

Volumn 113, Issue 10, 2000, Pages 4060-4072

  Kurosaki, Yuzuru ^a   Takayanagi, Toshiyuki ^a  

^a JAPAN ATOMIC ENERGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; ELECTRON TUNNELING; HYDROCARBONS; HYDROGEN; ISOTOPES; KINETIC THEORY; POTENTIAL ENERGY; RATE CONSTANTS; VARIATIONAL TECHNIQUES;

KINETIC ISOTOPE EFFECTS (KIE); MOLECULAR ORBITALS; VARIATIONAL TRANSITION STATE THEORY; ZERO POINT ENERGY;

QUANTUM THEORY;

EID: 0034622750     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1288173     Document Type: Article

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