| Solvation Thermodynamic Properties of Hydrogen Sulfide in [C4mim][PF6], [C4mim][BF4], and [C4mim][Cl] Ionic Liquids, Determined by Molecular Simulations J Sanchez-Badillo, M Gallo, S Alvarado, D Glossman-Mitnik The Journal of Physical Chemistry B 119 (33), 10727-10737, 2015 | 32 | 2015 |
| Insights on the cellulose pretreatment at room temperature by choline-chloride-based deep eutectic solvents: an atomistic study JA Sánchez-Badillo, M Gallo, JG Rutiaga-Quiñones, J Garza, ... Cellulose 29, 6517–6548, 2022 | 11 | 2022 |
| Solvent behavior of an ionic liquid set around a cellulose Iβ crystallite model through molecular dynamics simulations JA Sánchez-Badillo, M Gallo, JG Rutiaga-Quiñones, P López-Albarrán Cellulose 28, 6767–6795, 2021 | 10 | 2021 |
| Potential of Mean Force Calculations for an SN2 Fluorination Reaction in Five Different Imidazolium Ionic Liquid Solvents Using Quantum Mechanics/Molecular … J Sánchez-Badillo, M Gallo, RA Guirado-López, R González-García The Journal of Physical Chemistry B 124 (21), 4338-4357, 2020 | 10 | 2020 |
| Thermodynamic properties of the 1-butyl-3-methylimidazolium mesilate ionic liquid [C4mim][OMs] in condensed phase, using molecular simulations S Hernández-Ríos, J Sánchez-Badillo, M Gallo, P López-Albarran, ... Journal of Molecular Liquids 244, 422-432, 2017 | 9 | 2017 |
| Experimental and theoretical assessment of the interactions of ionic liquids (ILs) with fluoridated compounds (HF, RF) in organic medium AD Miranda, M Gallo, JM Domínguez, J Sánchez-Badillo, ... Journal of Molecular Liquids 276, 779-793, 2018 | 6 | 2018 |
| Thermodynamic, structural and dynamic properties of ionic liquids [C4mim][CF3COO], [C4mim][Br] in the condensed phase, using molecular simulations J Sánchez-Badillo, M Gallo, RA Guirado-López, J López-Lemus RSC Advances 9, 13677, 2019 | 4 | 2019 |
| Excess chemical potential of thiophene in [C4MIM] [BF4, Cl, Br, CH3COO] ionic liquids, determined by molecular simulations JLL Marco V. Velarde-Salcedo, Joel Sánchez-Badillo, Marco Gallo RSC Adv. 11, 29394-29406, 2021 | 3 | 2021 |
| APPLICATION OF THE CL&P-POL POLARIZABLE FORCE FIELD IN THE DETERMINATION OF THE EXCESS CHEMICAL POTENTIAL OF THIOPHENE WITHIN THE [C4MIM][BF4, CL, BR, CH3COO] IONIC LIQUIDS MV Velarde-Salcedo, J Sanchez-Badillo, M Gallo, J López-Lemus Journal of Ionic Liquids, 100096, 2024 | | 2024 |
| Non-covalent interactions drive the Young modulus of oligolignols-cellulose complexes. P Lopez-Albarran, A Pizzi, R Herrera-Bucio, J Sánchez-Badillo, M Gallo, ... | | 2022 |
| Thermodynamic, structural and dynamic properties of ionic liquids [C₄mim][CF₃COO],[C₄mim][Br] in the condensed phase, using molecular simulations J Sánchez-Badillo, M Gallo, RA Guirado-López, J López-Lemus RSC advances 9 (24), 2019 | | 2019 |
| MIM][BF MV Velarde-Salcedo, J Sanchez-Badillo, M Galloc, J López-Lemusa | | |
| Determination of Free Energy Reaction Pathways Using Imidazolium Ionic Liquids as Catalysts by Molecular Simulations. J Sánchez-Badillo, MT Gallo, R Guirado-López, R González-García | | |
