Efficiency analysis of reaction rate calculation methods using analytical models I: The two-dimensional sharp barrier

Journal of Chemical Physics

Volumn 125, Issue 17, 2006, Pages

  Van Erp, Titus S ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

BENCHMARKING; FREE ENERGY; INTERFACES (MATERIALS); MATHEMATICAL MODELS; OPTIMIZATION; TWO DIMENSIONAL;

ANALYTICAL BENCHMARK SYSTEM; SCALING RULES; SHARP BARRIER; TRANSMISSION COEFFICIENT;

RATE CONSTANTS;

ALGORITHM; ARTICLE; CHEMICAL MODEL; COMPUTER SIMULATION; KINETICS; QUANTUM THEORY; THERMODYNAMICS;

ALGORITHMS; COMPUTER SIMULATION; KINETICS; MODELS, CHEMICAL; QUANTUM THEORY; THERMODYNAMICS;

EID: 33750816009     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2363996     Document Type: Article

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