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1 Ergebnisse
1
Elastic Image Pair Method for Finding Transition States on ..:
Liu, Yangqiu
;
Qi, Hexiang
;
Lei, Ming
Journal of Chemical Theory and Computation. 18 (2022) 8 - p. 5108-5115 , 2022
Link:
https://doi.org/10.1021/acs.jctc.2c00137
RT Journal T1 <Title>Elastic Image Pair Method for Finding Transition States on Potential Energy Surfaces Using Only First Derivatives</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.2c00137&Exemplar=1&LAN=DE A1 Liu, Yangqiu A1 Qi, Hexiang A1 Lei, Ming PB American Chemical Society (ACS) YR 2022 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 18 IS 8 SP 5108 OP 5115 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.2c00137 DO https://doi.org/10.1021/acs.jctc.2c00137 SF ELIB - SuUB Bremen
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