CrystalClear: An open, modular protocol for predicting molecular crystal growth from solution
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DOI: 10.1039/d2sc06761g
Abstract: We present a new protocol for the prediction of free energies that determine the growth of sites in molecular crystals for subsequent use in Monte Carlo simulations using tools such... read more here.
Keywords: open modular; growth; modular protocol; crystalclear open ... See more keywords