Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
The Development of the QM/MM Interface and Its Application for the on-the-fly QM/MM Nonadiabatic Dynamics in JADE Package: Theory, Implementation and Applications
, Authors:
Haiyi Huang, Jiawei Peng, Feng Long Gu, Zhenggang Lan, Chao Xu
Version 1 posted 18 March 2024
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