Quantum-instanton evaluation of the kinetic isotope effects

Journal of Chemical Physics

Volumn 123, Issue 5, 2005, Pages

  Vaníček, Jiří ^a   Miller, William H ^a   Castillo, Jesús F ^b   Aoiz, F Javier ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BOLTZMANN OPERATORS; ECKART BARRIER; ISOTOPE VARIANTS; SEMICLASSICAL APPROXIMATION;

APPROXIMATION THEORY; COMPUTATIONAL METHODS; ERROR ANALYSIS; INTEGRAL EQUATIONS; INTEGRATION; ISOTOPES; MATRIX ALGEBRA; MONTE CARLO METHODS; RATE CONSTANTS;

QUANTUM THEORY;

EID: 23944447128     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1946740     Document Type: Article

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