20 citations · 79 across the 13 of their papers we have counts for
13 papers
Development of a new force field for the family of primary aliphatic amines using the three steps systematic parameterization procedure
H. Espinosa-Jiménez, A. B. Salazar-Arriaga, H. Dominguez
The applicability of the three steps systematic parametrization procedure (3SSPP) to develop a force field for primary amines was evaluated in the present work. Previous simulation…
Apparent molar volume anomaly in water-dimethyl sulfoxide liquid mixtures. Molecular dynamics computer simulations
M. Aguilar, H. Dominguez, O. Pizio
We have studied the composition dependence of density of liquid water-DMSO mixtures at different temperatures by using the isobaric-isothermal (NPT) molecular dynamics computer sim…
Revisiting the composition dependence of the properties of water-dimethyl sulfoxide liquid mixtures. Molecular dynamics computer simulations
M. Aguilar, H. Dominguez, O. Pizio
We have revisited the composition dependence of principal properties of liquid water-DMSO mixtures by using the isobaric-isothermal molecular dynamics computer simulations. A set o…
Dielectric and thermodynamic study of Carbon dioxide (CO) - methanol (CHOH) mixture
Raúl Fuentes-Azcatl, Hector Dominguez
In this paper is calculated and analyzed the dielectric behavior of carbon dioxide - methanol mixture and evaluate how the correct reproduction of the electrical properties of this…
Adsorption of metallic ions from aqueous solution on surfactant aggregates: a molecular dynamics study
E. H. Chavez-Martinez, E. Cedillo-Cruz, H. Dominguez
Metallic ion adsorption on surfactant aggregates were studied with Molecular dynamics simulations. Using ionic salts, such as lead sulfate (PbSO) and aluminum sulfate [Al(S…
On the properties of methanolic NaCl solution by molecular dynamics simulations
M. Cruz Sanchez, H. Dominguez, O. Pizio
Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and principal thermodynamic properties of a model solution consisting of NaCl salt…