Intrinsic reaction coordinate: Calculation, bifurcation, and automated search
Author:
Affiliation:
1. Department of Chemistry, Faculty of Science; Hokkaido University; Sapporo 060-0810 Japan
2. Fukui Institute for Fundamental Chemistry, Kyoto University; Kyoto 606-8103 Japan
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference173 articles.
1. Formulation of the reaction coordinate
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5. Location of saddle points and minimum energy paths by a constrained simplex optimization procedure
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