| Structural arrangements of isomorphic substitutions in smectites: Molecular simulation of the swelling properties, interlayer structure, and dynamics of hydrated Cs … BF Ngouana W, AG Kalinichev The Journal of Physical Chemistry C 118 (24), 12758-12773, 2014 | 139 | 2014 |
| Calculation of the Gibbs free energy of solvation and dissociation of HCl in water via Monte Carlo simulations and continuum solvation models MJ McGrath, IFW Kuo, JN Ghogomu, CJ Mundy, AV Marenich, CJ Cramer, ... Physical Chemistry Chemical Physics 15 (32), 13578-13585, 2013 | 46 | 2013 |
| An atomistic description of the γ-alumina/water interface revealed by ab initio molecular dynamics BF Ngouana-Wakou, P Cornette, M Corral Valero, D Costa, P Raybaud The Journal of Physical Chemistry C 121 (19), 10351-10363, 2017 | 40 | 2017 |
| Understanding methane/carbon dioxide partitioning in clay nano-and meso-pores with constant reservoir composition molecular dynamics modeling N Loganathan, GM Bowers, BFN Wakou, AG Kalinichev, RJ Kirkpatrick, ... Physical Chemistry Chemical Physics 21 (13), 6917-6924, 2019 | 26 | 2019 |
| Role of cations in the methane/carbon dioxide partitioning in nano-and mesopores of illite using constant reservoir composition molecular dynamics simulation N Loganathan, AO Yazaydin, GM Bowers, BF Ngouana-Wakou, ... The Journal of Physical Chemistry C 124 (4), 2490-2500, 2020 | 22 | 2020 |
| Identification of montmorillonite particle edge orientations by atomic-force microscopy SV Kraevsky, C Tournassat, M Vayer, F Warmont, S Grangeon, ... Applied Clay Science 186, 105442, 2020 | 17 | 2020 |
| Interaction of ions with hydrated clay surfaces: Computational molecular modeling for nuclear waste disposal applications AG Kalinichev, N Loganathan, BFN Wakou, Z Chen Procedia Earth and Planetary Science 17, 566-569, 2017 | 15 | 2017 |
| Modélisation moléculaire de l'hydratation, de la structure, et de la mobilité des ions et de l'eau dans l'espace interfoliaire et à la surface d'une argile smectitique BFN Wakou Ecole des Mines de Nantes, 2014 | 4 | 2014 |
| Theoretical Insights into the Interaction of Oxygenated Organic Molecules and Cobalt(II) Precursor with γ-Al2O3 Surfaces BF Ngouana Wakou, M Corral Valero, P Raybaud The Journal of Physical Chemistry C 122 (34), 19560-19574, 2018 | 3 | 2018 |
