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1 Ergebnisse
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MLatom Software Ecosystem for Surface Hopping Dynamics in P..:
Zhang, Lina
;
Pios, Sebastian V.
;
Martyka, Mikołaj
...
Journal of Chemical Theory and Computation. 20 (2024) 12 - p. 5043-5057 , 2024
Link:
https://doi.org/10.1021/acs.jctc.4c00468
RT Journal T1 <Title>MLatom Software Ecosystem for Surface Hopping Dynamics in Python with Quantum Mechanical and Machine Learning Methods</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.4c00468&Exemplar=1&LAN=DE A1 Zhang, Lina A1 Pios, Sebastian V. A1 Martyka, Mikołaj A1 Ge, Fuchun A1 Hou, Yi-Fan A1 Chen, Yuxinxin A1 Chen, Lipeng A1 Jankowska, Joanna A1 Barbatti, Mario A1 Dral, Pavlo O. PB American Chemical Society (ACS) YR 2024 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 20 IS 12 SP 5043 OP 5057 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.4c00468 DO https://doi.org/10.1021/acs.jctc.4c00468 SF ELIB - SuUB Bremen
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