Algorithm to evaluate rate constants for polyatomic chemical reactions. II. Applications

Journal of Computational Chemistry

Volumn 28, Issue 13, 2007, Pages 2111-2121

  Gonzalez, Javier ^a   Giménez, Xavier ^a   Bofill, Josep Maria ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

Classical mechanics; Polyatomic reactions; Rate constant; Reaction path

Indexed keywords

ALGORITHMS; ATOMIC PHYSICS; PHASE TRANSITIONS; RATE CONSTANTS; REACTION KINETICS;

CLASSICAL MECHANICS; POLYATOMIC REACTIONS; REACTION PATH; REACTIVE PROCESSES;

MOLECULAR STRUCTURE;

EID: 34547955126     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20729     Document Type: Article

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