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1 Ergebnisse
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Detailed Balance and Independent Electron Surface-Hopping M..:
Pradhan, Chinmay S.
;
Jain, Amber
Journal of Chemical Theory and Computation. 18 (2022) 8 - p. 4615-4626 , 2022
Link:
https://doi.org/10.1021/acs.jctc.2c00320
RT Journal T1 <Title>Detailed Balance and Independent Electron Surface-Hopping Method: The Importance of Decoherence and Correct Calculation of Diabatic Populations</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.2c00320&Exemplar=1&LAN=DE A1 Pradhan, Chinmay S. A1 Jain, Amber 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 4615 OP 4626 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.2c00320 DO https://doi.org/10.1021/acs.jctc.2c00320 SF ELIB - SuUB Bremen
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