| Density functional theory characterization of phosphate and sulfate adsorption on Fe-(hydr) oxide: Reactivity, pH effect, estimation of Gibbs free energies, and topological … NY Acelas, SM Mejia, F Mondragón, E Flórez Computational and Theoretical Chemistry 1005, 16-24, 2013 | 66 | 2013 |
| Grid‐based algorithm to search critical points, in the electron density, accelerated by graphics processing units R Hernández‐Esparza, SM Mejía‐Chica, AD Zapata‐Escobar, ... Journal of Computational Chemistry 35 (31), 2272-2278, 2014 | 51 | 2014 |
| Molecular Interaction of (Ethanol)2−Water Heterotrimers SM Mejía, JF Espinal, A Restrepo, F Mondragón The Journal of Physical Chemistry A 111 (33), 8250-8256, 2007 | 46 | 2007 |
| Phosphine-stabilised Au9 clusters interacting with titania and silica surfaces: The first evidence for the density of states signature of the support-immobilised cluster GG Andersson, VB Golovko, JF Alvino, T Bennett, O Wrede, SM Mejia, ... The Journal of chemical physics 141 (1), 2014 | 39 | 2014 |
| Cooperative effects on the structure and stability of (ethanol) 3–water,(methanol) 3–water heterotetramers and (ethanol) 4,(methanol) 4 tetramers SM Mejía, JF Espinal, F Mondragón Journal of Molecular Structure: THEOCHEM 901 (1-3), 186-193, 2009 | 39 | 2009 |
| The dynamic behavior of a liquid ethanol–water mixture: a perspective from quantum chemical topology SM Mejía, MJL Mills, MS Shaik, F Mondragon, PLA Popelier Physical Chemistry Chemical Physics 13 (17), 7821-7833, 2011 | 29 | 2011 |
| An orbital and electron density analysis of weak interactions in ethanol-water, methanol-water, ethanol and methanol small clusters SM Mejía, E Flórez, F Mondragón The Journal of chemical physics 136 (14), 2012 | 25 | 2012 |
| Effect of Charge and Phosphine Ligands on the Electronic Structure of the Au8 Cluster JC Burgos, SM Mejía, GF Metha ACS omega 4 (5), 9169-9180, 2019 | 21 | 2019 |
| Reaction Mechanism of the Isomerization of Monoterpene Epoxides with Fe3+ as Active Catalytic Specie: A Computational Approach JE Sánchez-Velandia, SM Mejía, AL Villa The Journal of Physical Chemistry A 124 (19), 3761-3769, 2020 | 10 | 2020 |
| Estudio del azeótropo etanol-agua. Caracterización molecular de dímeros de etanol, heterodímeros y heterotrímeros de etanol-agua SM Mejía, JF Espinal, F Mondragón Energética, 5-18, 2006 | 10 | 2006 |
| The role of OH… O and CH… O hydrogen bonds and H… H interactions in ethanol/methanol–water heterohexamers SM Mejía, JF Espinal, MJL Mills, F Mondragón Journal of molecular modeling 22, 1-10, 2016 | 6 | 2016 |
| Thermodynamics of the isomerization of monoterpene epoxides JE Sánchez-Velandia, JA Becerra, SM Mejía, AL Villa, F Martínez O ACS omega 6 (50), 34206-34218, 2021 | 5 | 2021 |
| Exploration of the (ethanol)4–water heteropentamers potential energy surface by simulated annealing and Ab initio molecular dynamics SM Mejía, JF Orrego, JF Espinal, P Fuentealba, F Mondragón International Journal of Quantum Chemistry 111 (12), 3080-3096, 2011 | 5 | 2011 |
| Heteropentámeros (etanol) 4-agua: estudio estructural y termodinámico SM Mejía, JF Orrego, JF Espinal, F Mondragón Química Nova 33, 860-866, 2010 | 5 | 2010 |
| Looking for the Azeotrope: A Computational Study of (Ethanol)6–Water, (Methanol)6–Water, (Ethanol)7, and (Methanol)7 Heptamers KN Chacón, JF Espinal, MM Montero-Campillo, M Yáñez, SM Mejía The Journal of Physical Chemistry A 124 (35), 7080-7087, 2020 | 4 | 2020 |
| A Theoretical Analysis of Interaction Energies and Intermolecular Interactions between Amphotericin B and Potential Bioconjugates Used in the Modification of Nanocarriers for … J Cuellar, L Parada-Díaz, J Garza, SM Mejía Molecules 28 (6), 2674, 2023 | 3 | 2023 |
| Understanding the azeotropic diethyl carbonate–water mixture by structural and energetic characterization of DEC(H2O) n heteroclusters ALV Juan D. Ripoll, Sol M. Mejía, Matthew J. L. Mills Journal of Molecular Modeling 21 (4), 93(1-13), 2015 | 3* | 2015 |
| Efectos cooperativos en heterotetrámeros (etanol) 3-agua SM Mejía, JF Espinal, F Mondragón Revista Colombiana de Química 38 (1), 151-167, 2009 | 3 | 2009 |
| Synthesis of trans-pinocarveol from oxidation of β-pinene using multifunctional heterogeneous catalysts JE Sánchez-Velandia, LM Valdivieso, F Martínez, SM Mejía, AL Villa, ... Molecular Catalysis 541, 113104, 2023 | 2 | 2023 |
| Exploring the potential energy surface of nCO2 (n= 1–5) capture by imidazole-and fluorine-based ionic liquids: A DFT study MA Becerra, DO Bolaños, J Cuellar, O Yañez, SM Mejía Journal of Molecular Liquids 356, 119022, 2022 | 2 | 2022 |
Fanor MondragonUniversidad de AntioquiaVerified email at udea.edu.co
