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Quantum-chemistry based calibration of the alkali metal cation series (Li + Cs + ) for large-scale polarizable molecular mechanics/dynamics simulations
Dudev, Todor, Devereux, Mike, Meuwly, Markus, Lim, Carmay, Piquemal, Jean-Philip, Gresh, NohadVolume:
36
Language:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.23801
Date:
February, 2015
File:
PDF, 1.03 MB
english, 2015