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1 Ergebnisse
1
Nonadiabatic Derivative Couplings Calculated Using Informat..:
Wen-Kai Chen
;
Sheng-Rui Wang
;
Xiang-Yang Liu
..
https://www.mdpi.com/1420-3049/28/10/4222. , 2023
Link:
https://doi.org/10.3390/molecules28104222
RT Journal T1
Nonadiabatic Derivative Couplings Calculated Using Information of Potential Energy Surfaces without Wavefunctions: Ab Initio and Machine Learning Implementations
UL https://suche.suub.uni-bremen.de/peid=base-ftdoajarticles:oai:doaj.org_article:39bebb7da1df494b83ad43a65e5b67cf&Exemplar=1&LAN=DE A1 Wen-Kai Chen A1 Sheng-Rui Wang A1 Xiang-Yang Liu A1 Wei-Hai Fang A1 Ganglong Cui PB MDPI AG YR 2023 K1 nonadiabatic couplings K1 machine learning K1 excited states K1 Organic chemistry K1 QD241-441 JF https://www.mdpi.com/1420-3049/28/10/4222 LK http://dx.doi.org/https://doi.org/10.3390/molecules28104222 DO https://doi.org/10.3390/molecules28104222 SF ELIB - SuUB Bremen
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