Automated Discovery of Elementary Chemical Reaction Steps Using Freezing String and Berny Optimization Methods

Published 2015 View Full Article

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Title
Automated Discovery of Elementary Chemical Reaction Steps Using Freezing String and Berny Optimization Methods
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 11, Issue 9, Pages 4248-4259
Publisher
American Chemical Society (ACS)
Online
2015-07-23
DOI
10.1021/acs.jctc.5b00407

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