Jelle Vekeman

Non CMM publications (A1)

In Search of an efficient Complexing Agent for Oxalates and Phosphates: A Quantum Chemical Study , J. Vekeman, J. Torres, C.E. David, E. Van de Perre, K.M. Wissing, E. Letavernier, D. Bazin, M. Daudon, A. Pozdzik, F. Tielens , Nanomaterials , 11, 7, 1763 , 2021 , 5.076 , 35/160 [Q1]
Lanthanum Carbonate to Control Plasma and Urinary Oxalate Level in Type 1 Primary Hyperoxaluria? , A. Pozdzik, C. David, J. Vekeman, F. Tielens, M. Daudon , International Journal of Urology Case Reports , 4, 4, 235-238 , 2021 , 3.369 , Q2
Opportunities Given by Density Functional Theory in Pathological Calcifications , F. Tielens, J. Vekeman, D. Bazin, M. Daudon , Comptes Rendus. Chimie , 24, S2, 1-10 , 2021 , 2.223 , Q3
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
A Subtle Balance Between Interchain Interactions and Surface Reconstruction at the origin of the Alkylthiol/Au (111) Self-Assembled Monolayer Geometry , A.-J. Truyens, J. Vekeman, F. Tielens , Surface Science , 121597 , 2020 , 1.849
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

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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

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