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1 Ergebnisse
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New Gradient Correction Scheme for Electronically Nonadiaba..:
Shu, Yinan
;
Zhang, Linyao
;
Wu, Dihua
...
Journal of Chemical Theory and Computation. 19 (2023) 9 - p. 2419-2429 , 2023
Link:
https://doi.org/10.1021/acs.jctc.2c01173
RT Journal T1 <Title>New Gradient Correction Scheme for Electronically Nonadiabatic Dynamics Involving Multiple Spin States</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.2c01173&Exemplar=1&LAN=DE A1 Shu, Yinan A1 Zhang, Linyao A1 Wu, Dihua A1 Chen, Xiye A1 Sun, Shaozeng A1 Truhlar, Donald G. PB American Chemical Society (ACS) YR 2023 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 19 IS 9 SP 2419 OP 2429 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.2c01173 DO https://doi.org/10.1021/acs.jctc.2c01173 SF ELIB - SuUB Bremen
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