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Theoretical studies of reaction mechanism in chemistry
Author(s) -
Havlas Zdeněk,
Zahradník Rudolf
Publication year - 1984
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560260505
Subject(s) - mechanism (biology) , chemistry , computational chemistry , reaction mechanism , chemical physics , biochemical engineering , epistemology , organic chemistry , engineering , philosophy , catalysis
After defining reaction mechanism, reaction path, reaction coordinate, reaction profile, and classical trajectories, dynamic and static approaches suitable (or promising) for analysis of reaction mechanism are critically discussed.