Modeling of Complex Interfaces: From Surface Chemistry to Nano Chemistry

por Vekeman, Jelle, Tielens, Frederik
Publicado 2020

Molecular Dynamics of CH(4)/N(2) Mixtures on a Flexible Graphene Layer: Adsorption and Selectivity Case Study

por Vekeman, Jelle, Faginas-Lago, Noelia, Lombardi, Andrea, Sánchez de Merás, Alfredo, García Cuesta, Inmaculada, Rosi, Marzio
Publicado 2019

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

por Vekeman, Jelle, Bahamon, Daniel, García Cuesta, Inmaculada, Faginas-Lago, Noelia, Sánchez-Marín, José, Sánchez de Merás, Alfredo, Vega, Lourdes F.
Publicado 2021

In Search of an Efficient Complexing Agent for Oxalates and Phosphates: A Quantum Chemical Study

por Vekeman, Jelle, Torres, Javier, David, Cristina Eugenia, Van de Perre, Els, Wissing, Karl Martin, Letavernier, Emmanuel, Bazin, Dominique, Daudon, Michel, Pozdzik, Agnieszka, Tielens, Frederik
Publicado 2021