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1 Ergebnisse
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LVC/MM: A Hybrid Linear Vibronic Coupling/Molecular Mechani..:
Polonius, Severin
;
Zhuravel, Oleksandra
;
Bachmair, Brigitta
.
Journal of Chemical Theory and Computation. 19 (2023) 20 - p. 7171-7186 , 2023
Link:
https://doi.org/10.1021/acs.jctc.3c00805
RT Journal T1
LVC/MM: A Hybrid Linear Vibronic Coupling/Molecular Mechanics Model with Distributed Multipole-Based Electrostatic Embedding for Highly Efficient Surface Hopping Dynamics in Solution
UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.3c00805&Exemplar=1&LAN=DE A1 Polonius, Severin A1 Zhuravel, Oleksandra A1 Bachmair, Brigitta A1 Mai, Sebastian PB American Chemical Society (ACS) YR 2023 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 19 IS 20 SP 7171 OP 7186 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.3c00805 DO https://doi.org/10.1021/acs.jctc.3c00805 SF ELIB - SuUB Bremen
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