| 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 | 28 | 2018 |
| 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 | 27 | 2018 |
| 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 | 23 | 2020 |
| 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 | 18 | 2020 |
| 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 | 18 | 2020 |
| 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 | 15 | 2019 |
| 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 | 14 | 2019 |
| 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 | 10 | 2018 |
| 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 | 9 | 2022 |
| 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 | 9 | 2021 |
| 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 | 8 | 2021 |
| 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 | 8 | 2021 |
| 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 | 7 | 2021 |
| 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 | 6 | 2020 |
| 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 | 5 | 2021 |
| 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 | 2 | 2022 |
| 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 | 2 | 2021 |
| Modeling of Complex Interfaces: From Surface Chemistry to Nano Chemistry J Vekeman, F Tielens Nanomaterials 10 (3), 540, 2020 | 2 | 2020 |
| 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 | 1 | 2023 |
| A molecular understanding of citrate adsorption on calcium oxalate polyhydrates Y Su, J Vekeman, FS Brigiano, EP Hessou, Y Zhao, D Sorgeloos, M Raes, ... Physical Chemistry Chemical Physics 25 (17), 12148-12156, 2023 | 1 | 2023 |
Frederik TielensVrije Universiteit BrusselGeverifieerd e-mailadres voor vub.be
