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1 Ergebnisse
1
Nonadiabatic Coupling in Trajectory Surface Hopping: Accura..:
Zhao, Xiaorui
;
Merritt, Isabella C. D.
;
Lei, Ruiqing
...
Journal of Chemical Theory and Computation. , 2023
Link:
https://doi.org/10.1021/acs.jctc.3c00813
RT Journal T1
Nonadiabatic Coupling in Trajectory Surface Hopping: Accurate Time Derivative Couplings by the Curvature-Driven Approximation
UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.3c00813&Exemplar=1&LAN=DE A1 Zhao, Xiaorui A1 Merritt, Isabella C. D. A1 Lei, Ruiqing A1 Shu, Yinan A1 Jacquemin, Denis A1 Zhang, Linyao A1 Xu, Xuefei A1 Vacher, Morgane A1 Truhlar, Donald G. PB American Chemical Society (ACS) YR 2023 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.3c00813 DO https://doi.org/10.1021/acs.jctc.3c00813 SF ELIB - SuUB Bremen
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