Fast Screening of Minimum Energy Crossing Points with Semiempirical Tight-Binding Methods
Author:
Affiliation:
1. Institute of Physical Chemistry, RWTH Aachen University, Melatener Str. 20, 52056Aachen, Germany
Funder
Ministerium f?r Kultur und Wissenschaft des Landes Nordrhein-Westfalen
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00578
Reference112 articles.
1. The Exploration of Chemical Reaction Networks
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