Non-polarizable force field of water based on the dielectric constant: TIP4P/ε R Fuentes-Azcatl, J Alejandre The Journal of Physical Chemistry B 118 (5), 1263-1272, 2014 | 151 | 2014 |
Sodium Chloride, NaCl/ϵ: New Force Field R Fuentes-Azcatl, MC Barbosa J. Phys. Chem. B. 120 (9), 2460–2470, 2016 | 82 | 2016 |
Improved SPC force field of water based on the dielectric constant: SPC/ε R Fuentes-Azcatl, N Mendoza, J Alejandre Physica A: Statistical Mechanics and its Applications 420, 116-123, 2015 | 60 | 2015 |
Direct coexistence methods to determine the solubility of salts in water from numerical simulations. Test case NaCl HM Manzanilla-Granados, H Saint-Martín, R Fuentes-Azcatl, J Alejandre The Journal of Physical Chemistry B 119 (26), 8389-8396, 2015 | 54 | 2015 |
Thermodynamic and dynamic anomalous behavior in the TIP4P/ε water model R Fuentes-Azcatl, MC Barbosa Physica A: Statistical Mechanics and its Applications 444, 86-94, 2016 | 29 | 2016 |
Potassium bromide, KBr/ε: New Force Field R Fuentes-Azcatl, MC Barbosa Physica A: Statistical Mechanics and its Applications 491, 480-489, 2018 | 22 | 2018 |
Flexible bond and angle, FBA/ϵ model of water R Fuentes-Azcatl, MC Barbosa Journal of Molecular Liquids 303, 112598, 2020 | 18 | 2020 |
Prediction of experimental properties of CO2: improving actual force fields R Fuentes-Azcatl, H Domínguez Journal of Molecular Modeling 25, 1-9, 2019 | 18 | 2019 |
Flexible model of water based on the dielectric and electromagnetic spectrum properties: TIP4P/∊ Flex R Fuentes-Azcatl Journal of Molecular Liquids 338, 116770, 2021 | 10 | 2021 |
Carbon dioxide adsorption on a modified zeolite with sodium dodecyl sulfate surfactants: A molecular dynamics study M Valencia-Ortega, R Fuentes-Azcatl, H Dominguez Journal of Molecular Graphics and Modelling 1 (on line), https://doi.org/10 …, 2019 | 9 | 2019 |
Carbon Dioxide Confined Between Two Charged Single Layers of Graphene: Molecular Dynamics Studies R Fuentes-Azcatl, H Dominguez The Journal of Physical Chemistry C, https://doi.org/10.1021/acs.jpcc.9b05239, 2019 | 7 | 2019 |
Dielectric behavior of Water in [bmim][Tf 2 N] room-temperature Ionic Liquid, molecular dynamic study R Fuentes-Azcatl, GJC Araujo, TC Lourenço, CTOG Costa, JWM Carneiro, ... Theoretical Chemistry Accounts 140, 1-9, 2021 | 6 | 2021 |
Novel force field for the ionic liquid [Bmim][Nf2T] and its transferability in a mixture with water R Fuentes-Azcatl, M González-Melchor Journal of Molecular Liquids 391, 123343, 2023 | 3 | 2023 |
Dielectric properties of water: a molecular dynamics study on the effects of molecule count and cutoff radius R Fuentes-Azcatl Journal of Molecular Modeling 30 (207), 1-8, 2024 | 1 | 2024 |
Dielectric and Structural Study of Water with Various NaCl Concentrations via Molecular Dynamics R Fuentes-Azcatl arXiv preprint arXiv:2410.18782, 2024 | | 2024 |
Novel force field of [Bmim][NfT] and its tranferability in a mixture with water R Fuentes-Azcatl, M González-Melchor arXiv preprint arXiv:2305.14769, 2023 | | 2023 |
Water inside charged nanoslits: Structure and Dielectric study with a novel water model FAB/ R Fuentes-Azcatl, JR Bordin, MC Barbosa arXiv preprint arXiv:2208.05619, 2022 | | 2022 |
Dielectric and thermodynamic study of Carbon dioxide (CO) - methanol (CHOH) mixture R Fuentes-Azcatl, H Dominguez arXiv preprint arXiv:2203.05498, 2022 | | 2022 |
Supporting Information for Publication” Carbon Dioxide Confined between two Charged Single Layers of Graphene: Molecular Dynamics Studies” R Fuentes-Azcatl, H Domınguez | | 2019 |
Sodium Chloride, NaCl/ϵ: New Force Field FA Raúl | | 2016 |