Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular-Dynamics Simulations
- Wilson, J.
- Faginas-Lago, N.
- Vekeman, J.
- Cuesta, I.G.
- Sánchez-Marín, J.
- Sánchez de Merás, A.
ISSN: 1439-7641, 1439-4235
Year of publication: 2018
Volume: 19
Issue: 6
Pages: 774-783
Type: Article