Edgar Núñez-Rojas

Systematic Procedure To Parametrize Force Fields for Molecular Fluids

Frank José Salas-Sánchez, Gloria Arlette Méndez-Maldonado, Edgar Núñez-Rojas et al. · Journal of Chemical Theory and Computation · 2014 · 68 citations

Interface Chemistry, Systematic Procedure, Dielectric Constant +15

Computational studies on the behavior of Sodium Dodecyl Sulfate (SDS) at TiO2(rutile)/water interfaces

Edgar Núñez-Rojas, Héctor Domínguez · Journal of Colloid and Interface Science · 2011 · 33 citations

Materials Science, Chemical Engineering, /Water Interfaces +12

A New Force Field of Formamide and the Effect of the Dielectric Constant on Miscibility

Alexander Pérez de la Luz, Gloria Arlette Méndez-Maldonado, Edgar Núñez-Rojas et al. · Journal of Chemical Theory and Computation · 2015 · 29 citations

Force Field Benchmark of the TraPPE_UA for Polar Liquids: Density, Heat of Vaporization, Dielectric Constant, Surface Tension, Volumetric Expansion Coefficient, and Isothermal Compressibility

Edgar Núñez-Rojas, Jorge Alberto Aguilar-Pineda, Alexander Pérez de la Luz et al. · The Journal of Physical Chemistry B · 2018 · 28 citations

Engineering, Fluid Mechanics, Isothermal Compressibility +22

Parametrisation of a force field of acetamide for simulations of the liquid phase

Jorge Alberto Aguilar-Pineda, Gloria Arlette Méndez-Maldonado, Edgar Núñez-Rojas et al. · Molecular Physics · 2015 · 27 citations

Engineering, Liquid-liquid Flow, Fluid Mechanics +20