Efficient Transition State Optimization of Periodic Structures through Automated Relaxed Potential Energy Surface Scans

Published 2018 View Full Article

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Title
Efficient Transition State Optimization of Periodic Structures through Automated Relaxed Potential Energy Surface Scans
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 14, Issue 2, Pages 981-990
Publisher
American Chemical Society (ACS)
Online
2018-01-27
DOI
10.1021/acs.jctc.7b01070

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