Global Reaction Route Mapping on Potential Energy Surfaces of Formaldehyde, Formic Acid, and Their Metal-Substituted Analogues
Author:
Affiliation:
1. Department of Chemistry, Graduate School of Science, Tohoku University, Aramaki, Aoba-ku, Sendai 980-8578, Japan
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp061149l
Reference65 articles.
1. Exploring potential energy surfaces for chemical reactions: An overview of some practical methods
2. The path of chemical reactions - the IRC approach
3. Search for stationary points on surfaces
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