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

This article is licensed under aCreative Commons Attribution-NonCommercial 3.0 Unported Licence.J. Vekeman, I. G. Cuesta, N. Faginas-Lago, J. Wilson, J. S ánchez-Marín, A. Sánchez de Merás Different force fields for the graphene –CH4 system are proposed including pseudo-atom and full atomistic models. The content of this RSS Feed (c) The Royal Society of Chemistry
Source: RSC - Phys. Chem. Chem. Phys. latest articles - Category: Chemistry Authors: Source Type: research
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