Jelle Vekeman

Non CMM publications (A1)

Morphology of Calcium Oxalate Polyhydrates: A Quantum Chemical and Computational Study , T. Debroise, T. Sedzik, J. Vekeman, Y. Su, C. Bonhomme, F. Tielens , Crystal Growth & Design , 20,6,3807-3815 , 2020 , 4.153
Modeling of Complex Interaces: From Surface Chemistry to Nano Chemistry , J. Vekeman, F. Tielens , Nanomaterials , 10,3,540 , 2020 , 4.034
Unravelling Phosphate Adsorption on Hydrous Ferric Oxide Surfaces at the Molecular Level , Y. Weng, J. Vekeman, H. Zhang, L. Chou, M. Elskens, F. Tielens , Chemosphere , 261,127776 , 2020 , 5.778
One Step Further in the Elucidation of the Crystallographic Structure of Whitlockite , T. Debroise, E. Colombo, G. Belletti, J. Vekeman, Y. Su, R. Papoular, N. S. Hwang, D. Bazin, M. Daudon, P. Quaino, F. Tielens , Crystal Growth & Design , 20,4,2553-2561 , 2019 , 4.153
Flexibility in the Graphene Sheet: The Influence on Gas Adsorption from Molecular Dynamics Studies , J. Vekeman, J. Sánchez-Marín, A. Sánchez de Merás, I. García Cuesta, N. Fagina , The Journal of Physical Chemistry C , 123,46,28035-28047 , 2019 , 4.189
Molecular Dynamics of CH4/N2 Mixtures on a Flexible Graphene Layer: Adsorption and Selectivity Case Study , J. Vekeman, N. Faginas-Lago, A. Lombardi, A. Sánchez, I. García Cuesta, M. Rosi , Frontiers in Chemistry , 7,386 , 2019 , 3.420
Potential Models for the Simulation of Methane Adsorption on Graphene: Development and CCSD(T) Benchmarks , J. Vekeman, I.G. Cuesta, N. Faginas-Lago, J. Wilson, J. Sánchez-Marín, A. Sánchez de Merás , Physical Chemistry Chemical Physics (PCCP) , 20,39,25518-25530 , 2018 , 3.567
Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular Dynamics Studies , J. Wilson, N. Faginas-Lago, J. Vekeman, I.G. Cuesta, J. Sánchez-Marín, A. Sánchez de Merás , ChemPhysChem , 19,6,774-783 , 2018 , 3.144

A1 Publications

Other Publications

A2 publications

2018

Nitrogen Gas on Graphene , J. Vekeman, N. Faginas-Lago, I.G. Cuesta, J. Sánchez-Marín, A. Sánchez de Merás , International Conference on Computational Science and its Applications , 563-578 , 2018

Keynote / Plenary / Invited talks

Talks

Posters

Funding