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Journal of Colloid and Interface Science|September 23, 2011
Computational studies on the behavior of sodium dodecyl sulfate (SDS) at TiO2(rutile)/water interfacesEdgar Núñez-Rojas, Hector DomínguezThe Journal of Physical Chemistry. B|May 20, 2020
Parametrization with Explicit Water of Solvents Used in Lithium-Ion Batteries: Cyclic Carbonates and Linear EthersValeria García-Melgarejo, José Alejandre, Edgar Núñez-RojasThe Journal of Chemical Physics|April 4, 2020
Constrained dipole moment density functional theory for charge distributions in force fields for the study of molecular fluidsJavier Carmona-Espíndola, Edgar Núñez-Rojas, Valeria García-Melgarejo, et al.Journal of Chemical Theory and Computation|November 18, 2015
A new force field of formamide and the effect of the dielectric constant on miscibilityAlexander Pérez de la Luz, G Arlette Méndez-Maldonado, Edgar Núñez-Rojas, et al.Journal of Chemical Theory and Computation|November 19, 2015
Systematic procedure to parametrize force fields for molecular fluidsFrank José Salas, G Arlette Méndez-Maldonado, Edgar Núñez-Rojas, et al.The Journal of Chemical Physics|October 8, 2024
ADCHα-I population analysis and constrained dipole moment density functional theory in force fields for molecular simulationsJavier Carmona-Espíndola, Valeria García-Melgarejo, Edgar Núñez-Rojas, et al.The Journal of Physical Chemistry. B|January 11, 2018
Force Field Benchmark of the TraPPE_UA for Polar Liquids: Density, Heat of Vaporization, Dielectric Constant, Surface Tension, Volumetric Expansion Coefficient, and Isothermal CompressibilityEdgar Núñez-Rojas, Jorge Alberto Aguilar-Pineda, Alexander Pérez de la Luz, et al.Pageof 1