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On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice
Reddy, Sandeep K., Straight, Shelby C., Bajaj, Pushp, Huy Pham, C., Riera, Marc, Moberg, Daniel R., Morales, Miguel A., Knight, Chris, Götz, Andreas W., Paesani, FrancescoVolume:
145
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4967719
Date:
November, 2016
File:
PDF, 2.66 MB
english, 2016