Jelle Vekeman

6PUBLICATIONS
8CO-AUTHORS
Structure and dynamics of materialsTheoretical quantum chemistryMetal cluster chemistryTransport properties and non-equilibrium processesChemical and thermal processes in energy and combustion
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Publications (6)

|Apr 18, 2023
A molecular understanding of citrate adsorption on calcium oxalate polyhydrates.

Yangyang Su, Jelle Vekeman, Flavio Siro Brigiano

|Jan 14, 2023
Development of accurate potentials for the physisorption of water on graphene.

Jelle Vekeman, Inmaculada García Cuesta, Noelia Faginas-Lago

|Jun 10, 2022
Synergistic Effects in the Activity of Nano-Transition-Metal Clusters Pt12 M (M=Ir, Ru or Rh) for NO Dissociation.

Jelle Vekeman, Qing Wang, Xavier Deraet

|Nov 09, 2021
Towards a predictive model for polymer solubility using the noncovalent interaction index: polyethylene as a case study.

Mats Denayer, Jelle Vekeman, Frederik Tielens

|Oct 23, 2021
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.

Jelle Vekeman, Daniel Bahamon, Inmaculada García Cuesta

|Aug 07, 2021
In Search of an Efficient Complexing Agent for Oxalates and Phosphates: A Quantum Chemical Study.

Jelle Vekeman, Javier Torres, Cristina Eugenia David

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Frequent Collaborators

4 joint publications

Frederik Tielens

2 joint publications

Inmaculada García Cuesta

2 joint publications

Noelia Faginas-Lago

2 joint publications

José Sánchez-Marín