검색결과 : 24건
| No. | Article |
|---|---|
| 1 |
Parametrization with Explicit Water of Solvents Used in Lithium-Ion Batteries: Cyclic Carbonates and Linear Ethers Garcia-Melgarejo V, Alejandre J, Nunez-Rojas E Journal of Physical Chemistry B, 124(23), 4741, 2020 |
| 2 |
Systematic parameterization procedure to develop force fields for molecular fluids using explicit water Nunez-Rojas E, Garcia-Melgarejo V, de la Luz AP, Alejandre J Fluid Phase Equilibria, 490, 1, 2019 |
| 3 |
Effect of the Dielectric Constant on the Solubility of Acetone in Water de Jesus-Gonzalez NE, de la Luz AP, Lopez-Lemus J, Alejandre J Journal of Chemical and Engineering Data, 63(5), 1170, 2018 |
| 4 |
Force Field Benchmark of the TraPPE_UA for Polar Liquids: Density, Heat of Vaporization, Dielectric Constant, Surface Tension, Volumetric Expansion Coefficient, and Isothermal Compressibility Nunez-Rojas E, Aguilar-Pineda JA, de la Luz AP, Gonzalez END, Alejandre J Journal of Physical Chemistry B, 122(5), 1669, 2018 |
| 5 |
Direct Coexistence Methods to Determine the Solubility of Salts in Water from Numerical Simulations. Test Case NaCl Manzanilla-Granados HM, Saint-Martin H, Fuentes-Azcatl R, Alejandre J Journal of Physical Chemistry B, 119(26), 8389, 2015 |
| 6 |
Non-Polarizable Force Field of Water Based on the Dielectric Constant: TIP4P/epsilon Fuentes-Azcatl R, Alejandre J Journal of Physical Chemistry B, 118(5), 1263, 2014 |
| 7 |
Computer simulations of surfactant monolayers at solid walls Dominguez H, Goicochea AG, Mendoza N, Alejandre J Journal of Colloid and Interface Science, 297(1), 370, 2006 |
| 8 |
Molecular dynamics simulations of aqueous solutions of ethanolamines Lopez-Rendon R, Mora MA, Alejandre J, Tuckerman ME Journal of Physical Chemistry B, 110(30), 14652, 2006 |
| 9 |
Surface tension of associating fluids by Monte Carlo simulations Tapia-Medina C, Orea P, Mier-y-Teran L, Alejandre J Journal of Chemical Physics, 120(5), 2337, 2004 |
| 10 |
Liquid-vapor interface of square-well fluids of variable interaction range Orea P, Duda Y, Weiss VC, Schroer W, Alejandre J Journal of Chemical Physics, 120(24), 11754, 2004 |