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Calculation of configurational entropy differences from conformational ensembles using Gaussian mixtures
Gyimesi, Gergely, Závodszky, Péter, Szilágyi, AndrásLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.6b00837
Date:
November, 2016
File:
PDF, 2.62 MB
english, 2016