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Analytical calculation of the solvent-accessible surface area and its nuclear gradients by stereographic projection: A general approach for molecules, polymers, nanotubes, helices, and surfaces
Vassetti, Dario, Civalleri, Bartolomeo, Labat, FrédéricLanguage:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.26191
Date:
March, 2020
File:
PDF, 2.07 MB
english, 2020