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Jelle Vekeman
Jelle Vekeman
FWO Postdoctoral researcher at Ghent University
Verified email at ugent.be - Homepage
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Year
Modeling the interaction of carbon monoxide with flexible graphene: from coupled cluster calculations to molecular‐dynamics simulations
J Wilson, N Faginas‐Lago, J Vekeman, IG Cuesta, J Sánchez‐Marín, ...
ChemPhysChem 19 (6), 774-783, 2018
282018
Potential models for the simulation of methane adsorption on graphene: development and CCSD (T) benchmarks
J Vekeman, IG Cuesta, N Faginas-Lago, J Wilson, J Sánchez-Marín, ...
Physical Chemistry Chemical Physics 20 (39), 25518-25530, 2018
272018
One step further in the elucidation of the crystallographic structure of whitlockite
T Debroise, E Colombo, G Belletti, J Vekeman, Y Su, R Papoular, ...
Crystal Growth & Design 20 (4), 2553-2561, 2020
212020
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
182020
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
182020
Flexibility in the graphene sheet: the influence on gas adsorption from molecular dynamics studies
J Vekeman, J Sánchez-Marín, A Sánchez de Merás, I Garcia Cuesta, ...
The Journal of Physical Chemistry C 123 (46), 28035-28047, 2019
152019
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 de Merás, ...
Frontiers in Chemistry 7, 386, 2019
142019
Nitrogen gas on graphene: Pairwise interaction potentials
J Vekeman, N Faginas-Lago, IG Cuesta, J Sánchez-Marín, AS De Merás
International Conference on Computational Science and Its Applications, 563-578, 2018
102018
A sustainable way of recycling polyamides: dissolution and ammonolysis of polyamides to diamines and diamides using ammonia and biosourced glycerol
W Stuyck, K Janssens, M Denayer, F De Schouwer, R Coeck, ...
Green Chemistry 24 (18), 6923-6930, 2022
92022
Opportunities given by density functional theory in pathological calcifications
F Tielens, J Vekeman, D Bazin, M Daudon
Comptes Rendus. Chimie 25 (S1), 1-10, 2021
92021
In search of an efficient complexing agent for oxalates and phosphates: a quantum chemical study
J Vekeman, J Torres, CE David, E Van de Perre, KM Wissing, ...
Nanomaterials 11 (7), 1763, 2021
82021
Lanthanum carbonate to control plasma and urinary oxalate level in type 1 primary hyperoxaluria?
A Pozdzik, C David, J Vekeman, F Tielens, M Daudon
IJU Case reports 4 (4), 235-238, 2021
72021
Towards a predictive model for polymer solubility using the noncovalent interaction index: polyethylene as a case study
M Denayer, J Vekeman, F Tielens, F De Proft
Physical Chemistry Chemical Physics 23 (44), 25374-25387, 2021
62021
A subtle balance between interchain interactions and surface reconstruction at the origin of the alkylthiol/Au (111) self-assembled monolayer geometry
AJ Truyens, J Vekeman, F Tielens
Surface Science 696, 121597, 2020
62020
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
J Vekeman, D Bahamon, I García Cuesta, N Faginas-Lago, ...
Nanomaterials 11 (10), 2534, 2021
42021
Nanostructured materials and heterogeneous catalysis: a succinct review regarding DeNox catalysis
D Bazin, J Vekeman, Q Wang, X Deraet, F De Proft, H Guesmi, F Tielens
Comptes Rendus. Chimie 25 (S3), 237-244, 2022
22022
Modeling of Complex Interfaces: From Surface Chemistry to Nano Chemistry
J Vekeman, F Tielens
Nanomaterials 10 (3), 540, 2020
22020
Elucidating the impact of chemical variability on the nano-structure of Fe-rich slags
C Siakati, J Vekeman, F Tielens, D Seveno, Y Pontikes
Journal of Non-Crystalline Solids 618, 122541, 2023
12023
Study on the biological behaviors of CaP coatings with different morphology on carbon/carbon composites
Y Su, K Li, J Vekeman, EP Hessou, F Tielens, J Wang
Materials Science and Engineering: C 129, 112391, 2021
12021
Total revalorization of high impact polystyrene (HIPS): enhancing styrene recovery and upcycling of the rubber phase
NS Giakoumakis, C Vos, K Janssens, J Vekeman, M Denayer, F De Proft, ...
Green Chemistry 26 (1), 340-352, 2024
2024
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