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1 Ergebnisse
1
Development and Evaluation of Geometry Optimization Algorit..:
Hao, Dongxiao
;
He, Xibing
;
Roitberg, Adrian E.
..
Journal of Chemical Theory and Computation. 18 (2022) 2 - p. 978-991 , 2022
Link:
https://doi.org/10.1021/acs.jctc.1c01043
RT Journal T1 <Title>Development and Evaluation of Geometry Optimization Algorithms in Conjunction with ANI Potentials</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.1c01043&Exemplar=1&LAN=DE A1 Hao, Dongxiao A1 He, Xibing A1 Roitberg, Adrian E. A1 Zhang, Shengli A1 Wang, Junmei PB American Chemical Society (ACS) YR 2022 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 18 IS 2 SP 978 OP 991 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.1c01043 DO https://doi.org/10.1021/acs.jctc.1c01043 SF ELIB - SuUB Bremen
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