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Soft-Sphere Continuum Solvation in Electronic-Structure Calculations
Fisicaro, Giuseppe, Genovese, Luigi, Andreussi, Oliviero, Mandal, Sagarmoy, Nair, Nisanth N., Marzari, Nicola, Goedecker, StefanLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.7b00375
Date:
July, 2017
File:
PDF, 1.06 MB
english, 2017