| 1 | Fifty Years of Molecular Simulations at UAM and in Mexico | 1ᵉʳ autor: Núñez-Rojas E., Luz A.P.L., Saint-Martin H., Alejandre J. | 2024 | Journal Of The Mexican Chemical Society | WoS-id: 001331349100012
Scopus-id: 2-s2.0-85211801939
| 0 | 0 |
| 2 | United atom model via interactions with explicit water (UAMI-EW): Alcohols and ketones | 2ᵒ autor: Núñez-Rojas E., García-Melgarejo V., Alejandre J. | 2021 | JOURNAL OF MOLECULAR LIQUIDS | WoS-id: 000610844800009
Scopus-id: 2-s2.0-85095818128
| 9 | 12 |
| 3 | Constrained dipole moment density functional theory for charge distributions in force fields for the study of molecular fluids | 2ᵒ autor: Núñez-Rojas E., Carmona-Espíndola J., Garciá-Melgarejo V., Gázquez J.L., et al. | 2020 | JOURNAL OF CHEMICAL PHYSICS | WoS-id: 000523444500001
Scopus-id: 2-s2.0-85082858328
| 13 | 15 |
| 4 | Parametrization with Explicit Water of Solvents Used in Lithium-Ion Batteries: Cyclic Carbonates and Linear Ethers | Coautor y autor de correspondencia: Núñez-Rojas E., García-Melgarejo V., Alejandre J. | 2020 | JOURNAL OF PHYSICAL CHEMISTRY B | WoS-id: 000541742900007
Scopus-id: 2-s2.0-85086346451
| 18 | 19 |
| 5 | Systematic parameterization procedure to develop force fields for molecular fluids using explicit water | 1ᵉʳ autor: Núñez-Rojas E., García-Melgarejo V., Pérez de la Luz A., Alejandre J. | 2019 | FLUID PHASE EQUILIBRIA | WoS-id: 000466455400001
Scopus-id: 2-s2.0-85062271817
| 16 | 18 |
| 6 | Molecular dynamics simulations to separate benzene from hydrocarbons using polar and ionic liquid solvents | 1ᵉʳ autor: Núñez-Rojas E., Flores-Ruiz H.M., Alejandre J. | 2018 | JOURNAL OF MOLECULAR LIQUIDS | WoS-id: 000423892100065
Scopus-id: 2-s2.0-85034645419
| 21 | 22 |
| 7 | Force Field Benchmark of the TraPPE-UA for Polar Liquids: Density, Heat of Vaporization, Dielectric Constant, Surface Tension, Volumetric Expansion Coefficient, and Isothermal Compressibility | 1ᵉʳ autor: Núñez-Rojas E., Aguilar-Pineda J.A., Pérez De La Luz A., De Jesús González E.N., et al. | 2018 | JOURNAL OF PHYSICAL CHEMISTRY B | WoS-id: 000424955700013
Scopus-id: 2-s2.0-85042131347
| 20 | 21 |
| 8 | Stability of formic acid/pyridine and isonicotinamide/formamide cocrystals by molecular dynamics simulations | 2ᵒ autor: Núñez-Rojas E., Salas F.J., Alejandre J. | 2017 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000393770900001
Scopus-id: 2-s2.0-85007134527
| 14 | 15 |
| 9 | Systematic procedure to parametrize force fields for molecular fluids | Coautor: NunezRojas, E, Salas F.J., Méndez-Maldonado G.A., Aguilar-Pineda G.E., et al. | 2015 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | WoS-id: 000349934400029
Scopus-id: 2-s2.0-84922590919
| 54 | 55 |
| 10 | A New Force Field of Formamide and the Effect of the Dielectric Constant on Miscibility | Coautor: Núñez-Rojas E., De La Luz A.P., Méndez-Maldonado G.A., Bresme F., et al. | 2015 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | WoS-id: 000356201700038
Scopus-id: 2-s2.0-84931282067
| 24 | 27 |
| 11 | Parametrisation of a force field of acetamide for simulations of the liquid phase | Coautor: Núñez-Rojas E., Aguilar-Pineda J.A., Méndez-Maldonado G.A., Alejandre J. | 2015 | MOLECULAR PHYSICS | WoS-id: 000362544000039
Scopus-id: 2-s2.0-84943587018
| 23 | 23 |
| 12 | Structure of a-olefins on different solid surfaces: A molecular dynamics study | Coautor y autor de correspondencia: Nunez-Rojas, E, Peredo-Mancilla, D, Dominguez, H | 2013 | JOURNAL OF PHYSICAL CHEMISTRY C | WoS-id: 000323301100015
Scopus-id: 2-s2.0-84882388772
| 1 | 1 |
| 13 | Aggregate structures of the sorbitan monooleate (SPAN80) surfactant at TIO2(rutile)/water interfaces by computer simulations | 1ᵉʳ autor: Núñez-Rojas E., Domínguez H. | 2013 | REVISTA MEXICANA DE FISICA | Scopus-id: 2-s2.0-84884564221
| 0 | 5 |
| 14 | Computational studies on the behavior of Sodium Dodecyl Sulfate (SDS) at TiO2(rutile)/water interfaces | 1ᵉʳ autor: Nunez-Rojas, E, Dominguez, H | 2011 | JOURNAL OF COLLOID AND INTERFACE SCIENCE | WoS-id: 000296223500020
Scopus-id: 2-s2.0-80054709852
| 34 | 34 |
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