Potential models for the simulation of methane adsorption on graphene: development and CCSD(T) benchmarks

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Authors: J. Vekeman, I. G. Cuesta, N. Faginas-Lago, J. Wilson, J. Sánchez-Marín, A. Sánchez de Merás

Journal title: Physical Chemistry Chemical Physics

Journal number: 20/39

Journal publisher: Royal Society of Chemistry

Published year: 2018

Published pages: 25518-25530

DOI identifier: 10.1039/c8cp03652g

ISSN: 1463-9076