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Coupling Real-Time Time-Dependent Density Functional Theory with Polarizable Force Field
Donati, Greta, Wildman, Andrew, Caprasecca, Stefano, Lingerfelt, David B, Lipparini, Filippo, Mennucci, Benedetta, Li, XiaosongLanguage:
english
Journal:
The Journal of Physical Chemistry Letters
DOI:
10.1021/acs.jpclett.7b02320
Date:
October, 2017
File:
PDF, 1.17 MB
english, 2017