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Automated Discovery of Elementary Chemical Reaction Steps Using Freezing String and Berny Optimization Methods�
Submitted on
Fri, 2018-04-27 01:10
Title
Automated Discovery of Elementary Chemical Reaction Steps Using Freezing String and Berny Optimization Methods�
Publication Type
Journal Article
Year of Publication
2015
Authors
Yury V. Suleimanov
William H. Green
Journal
Journal of Chemical Theory & Computation
Volume
11
Pagination
4248
Keywords
DOI
http://dx.doi.org/10.1021/acs.jctc.5b00407
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