Jelle Vekeman
Postdoc (WE05) |
Non CMM publications (A1)
Morphology of Calcium Oxalate Polyhydrates: A Quantum Chemical and Computational Study , , Crystal Growth & Design , 20,6,3807-3815 , 2020 , 4.153
Modeling of Complex Interaces: From Surface Chemistry to Nano Chemistry , , 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 , , Surface Science , 121597 , 2020 , 1.849
Unravelling Phosphate Adsorption on Hydrous Ferric Oxide Surfaces at the Molecular Level , , Chemosphere , 261,127776 , 2020 , 5.778
One Step Further in the Elucidation of the Crystallographic Structure of Whitlockite , , Crystal Growth & Design , 20,4,2553-2561 , 2019 , 4.153
Flexibility in the Graphene Sheet: The Influence on Gas Adsorption from Molecular Dynamics Studies , , 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 , , Frontiers in Chemistry , 7,386 , 2019 , 3.420
Potential Models for the Simulation of Methane Adsorption on Graphene: Development and CCSD(T) Benchmarks , , 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 , , ChemPhysChem , 19,6,774-783 , 2018 , 3.144
Quick links
Go to A1 Publications / Other Publications / Invited talks / Conference talks / Posters / Funding
A2 publications
2018
Nitrogen Gas on Graphene , , International Conference on Computational Science and its Applications , 563-578 , 2018