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Accurate Evaluation of the Dispersion Energy in the Simulation of Gas Adsorption into Porous Zeolites
Fraccarollo, Alberto, Canti, Lorenzo, Marchese, Leonardo, Cossi, MaurizioVolume:
13
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.6b01021
Date:
April, 2017
File:
PDF, 1.41 MB
english, 2017