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Interfacing the Core-Shell or the Drude Polarizable Force Field With Car–Parrinello Molecular Dynamics for QM/MM Simulations
Sahoo, Sudhir K., Nair, Nisanth N.Volume:
6
Language:
english
Journal:
Frontiers in Chemistry
DOI:
10.3389/fchem.2018.00275
Date:
July, 2018
File:
PDF, 1.89 MB
english, 2018