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Benchmarking dispersion and geometrical counterpoise corrections for cost-effective large-scale DFT calculations of water adsorption on graphene
Lorenz, Marco, Civalleri, Bartolomeo, Maschio, Lorenzo, Sgroi, Mauro, Pullini, DanieleVolume:
35
Language:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.23686
Date:
September, 2014
File:
PDF, 684 KB
english, 2014