| A new force field of formamide and the effect of the dielectric constant on miscibility AP de la Luz, GA Méndez-Maldonado, E Núñez-Rojas, F Bresme, ... Journal of Chemical Theory and Computation 11 (6), 2792-2800, 2015 | 25 | 2015 |
| Force field parametrization from the Hirshfeld molecular electronic density A Pérez de la Luz, JA Aguilar-Pineda, JG Méndez-Bermúdez, J Alejandre Journal of Chemical Theory and Computation 14 (11), 5949-5958, 2018 | 22 | 2018 |
| Force field benchmark of the TraPPE_UA for polar liquids: Density, heat of vaporization, dielectric constant, surface tension, volumetric expansion coefficient, and isothermal … E Núñez-Rojas, JA Aguilar-Pineda, A Pérez de la Luz, ... The Journal of Physical Chemistry B 122 (5), 1669-1678, 2018 | 20 | 2018 |
| Systematic parameterization procedure to develop force fields for molecular fluids using explicit water E Núñez-Rojas, V García-Melgarejo, AP de la Luz, J Alejandre Fluid Phase Equilibria 490, 1-12, 2019 | 18 | 2019 |
| Effect of the Dielectric Constant on the Solubility of Acetone in Water NE de Jesús-González, A Pérez de la Luz, J López-Lemus, J Alejandre Journal of Chemical & Engineering Data 63 (5), 1170-1179, 2018 | 14 | 2018 |
| Tropospheric degradation of ethylene glycol monovinyl and divinyl ethers: A mechanistic and kinetic study AP de la Luz, C Iuga, JR Alvarez‐Idaboy, E Ortíz, A Vivier‐Bunge International Journal of Quantum Chemistry 112 (21), 3525-3534, 2012 | 14 | 2012 |
| Effects of the cation ordering in Mg: Al and Zn: Al layered double hydroxides on crystallographic and spectroscopical properties by means of first principles calculations C Pimentel, AP de la Luz, A Hernández-Laguna, CI Sainz-Díaz Applied Clay Science 223, 106496, 2022 | 8 | 2022 |
| An effective force field to reproduce the solubility of MTBE in water AP de la Luz, C Iuga, A Vivier-Bunge Fuel 264, 116761, 2020 | 6 | 2020 |
| Crystal polymorphism and spectroscopical properties of sulfonamides in solid state by means of First Principles calculations CI Sainz-Díaz, AP de la Luz, C Barrientos-Salcedo, M Francisco-Márquez, ... Journal of Computer-Aided Molecular Design 36 (7), 549-562, 2022 | 4 | 2022 |
| Adsorption of Capsaicin into the Nanoconfined Interlayer Space of Montmorillonite by DFT Calculations C Soriano-Correa, AP de la Luz, CI Sainz-Díaz Journal of Pharmaceutical Sciences 112 (3), 798-807, 2023 | 3 | 2023 |
| Experimental and Theoretical Studies on the Intercalation of Naproxen into the Mg2Al and Zn2Al Layered Double Hydroxides by Ion Exchange Reaction MP Figueiredo, A Borrego-Sánchez, C Pimentel, AP de la Luz, C Viseras, ... Journal of Pharmaceutical Sciences 111 (8), 2369-2377, 2022 | 3 | 2022 |
| Tautomerism and IR spectroscopy of arylsulfonamides by quantum mechanical calculations FM Misaela, P de la Luz Alexander, SC Catalina, BS Carolina, ... Journal of Molecular Structure 1250, 131717, 2022 | 3 | 2022 |
| Intercalation of sulfonamides in montmorillonite by molecular dynamics and DFT calculations for bioavailability control AP de la Luz, C Soriano-Correa, M Francisco-Márquez, ... Journal of Molecular Structure 1291, 136085, 2023 | 2 | 2023 |
| Determination of pKa values and deprotonation order of methotrexate using a combined experimental-theoretical study and binding constants of the methotrexate-Laponite complex … JC Alva-Ensastegui, E Morales-Avila, AP de la Luz, MJ Bernad-Bernad Journal of Photochemistry and Photobiology A: Chemistry 449, 115406, 2024 | 1 | 2024 |
| Force Field Benchmark of the TraPPE UA for Polar Liquids: Density, Enthalpy of Vaporization, Dielectric Constant, Surface Tension, Isothermal Compressibility and Volumetric … E Nunez-Rojas, JA Aguilar-Pineda, AP de la Luz, EN de Jesus | | 2017 |
| Estudio Teórico de la Degradación Atmosférica de Vinil Éteres en Presencia de Radicales• OH AP de la Luz | | 2012 |
| Force Field Parameterization via Atoms-in-Molecules AP de la Luz, JA Aguilar-Pineda, JG Méndez-Bermúdez, J Alejandre | | |
José AlejandreUniversidad Autonoma MetropolitanaVerified email at xanum.uam.mx
