Sfoglia per Autore
Potential models for the simulation of methane adsorption on graphene: Development and CCSD(T) benchmarks
2018 Vekeman, J.; Cuesta, I. G.; Faginas-Lago, N.; Wilson, J.; Sanchez-Marin, J.; Sanchez De Meras, A.
Nitrogen gas on graphene: Pairwise interaction potentials
2018 Vekeman, JELLE SANNE B; Faginas-Lago, Noelia; Cuesta, Inmaculada G.; Sánchez-Marín, José; De Merás, Alfredo Sánchez
Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular-Dynamics Simulations
2018 Wilson, Jake; Faginas-Lago, Noelia; Vekeman, Jelle; Cuesta, Inmaculada G.; Sánchez-Marín, José; Sánchezdemerás, Alfredo
Flexibility in the Graphene Sheet: The Influence on Gas Adsorption from Molecular Dynamics Studies
2019 Vekeman, J.; Sanchez-Marin, J.; Sanchez De Meras, A.; Garcia Cuesta, I.; Faginas-Lago, N.
Molecular dynamics of CH4/N2 mixtures on a flexible graphene layer: Adsorption and selectivity case study
2019 Vekeman, J.; Faginas-Lago, N.; Lombardi, A.; de Meras, A. S.; Cuesta, I. G.; Rosi, M.
Grand canonical monte carlo simulations to determine the optimal interlayer distance of a graphene slit-shaped pore for adsorption of methane, hydrogen and their equimolar mixture
2021 Vekeman, J.; Bahamon, D.; Cuesta, I. G.; Faginas-Lago, N.; Sanchez-Marin, J.; de Meras, A. S.; Vega, L. F.
Development of accurate potentials for the physisorption of water on graphene
2023 Vekeman, Jelle; García Cuesta, Inmaculada; Faginas-Lago, Noelia; Sánchez-Marín, José; Sánchez de Merás, Alfredo M J
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Potential models for the simulation of methane adsorption on graphene: Development and CCSD(T) benchmarks | 2018 | Vekeman, J.; Cuesta, I. G.; Faginas-Lago, N.; Wilson, J.; Sanchez-Marin, J.; Sanchez De Meras, A. | |
| Nitrogen gas on graphene: Pairwise interaction potentials | 2018 | Vekeman, JELLE SANNE B; Faginas-Lago, Noelia; Cuesta, Inmaculada G.; Sánchez-Marín, José; De Merás, Alfredo Sánchez | |
| Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular-Dynamics Simulations | 2018 | Wilson, Jake; Faginas-Lago, Noelia; Vekeman, Jelle; Cuesta, Inmaculada G.; Sánchez-Marín, José; Sánchezdemerás, Alfredo | |
| Flexibility in the Graphene Sheet: The Influence on Gas Adsorption from Molecular Dynamics Studies | 2019 | Vekeman, J.; Sanchez-Marin, J.; Sanchez De Meras, A.; Garcia Cuesta, I.; Faginas-Lago, N. | |
| Molecular dynamics of CH4/N2 mixtures on a flexible graphene layer: Adsorption and selectivity case study | 2019 | Vekeman, J.; Faginas-Lago, N.; Lombardi, A.; de Meras, A. S.; Cuesta, I. G.; Rosi, M. | |
| Grand canonical monte carlo simulations to determine the optimal interlayer distance of a graphene slit-shaped pore for adsorption of methane, hydrogen and their equimolar mixture | 2021 | Vekeman, J.; Bahamon, D.; Cuesta, I. G.; Faginas-Lago, N.; Sanchez-Marin, J.; de Meras, A. S.; Vega, L. F. | |
| Development of accurate potentials for the physisorption of water on graphene | 2023 | Vekeman, Jelle; García Cuesta, Inmaculada; Faginas-Lago, Noelia; Sánchez-Marín, José; Sánchez de Merás, Alfredo M J |
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