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

出版年份 2018 全文链接

标题

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

作者

关键词

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出版物

Journal of Chemical Theory and Computation

Volume 14, Issue 2, Pages 981-990

出版商

American Chemical Society (ACS)

发表日期

2018-01-27

DOI

10.1021/acs.jctc.7b01070

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