| Tipo Producción |
Título |
Autor |
Año de Producción |
DOI |
Revista |
Fuente |
Cuartil de ScimagoJR o JCR* |
|
Artículo en revista científica
|
A Four-Site Molecular Model for Simulations of Liquid Methanol and Water-Methanol Mixtures: MeOH-4P
|
Martínez-Jiménez M.
|
2018
|
10.1021/acs.jctc.7b01265
|
Journal of Chemical Theory and Computation
|
|
Q1
|
|
Artículo en revista científica
|
Experimental and Theoretical Studies on the Implications of Halide-Dependent Aqueous Solvation of Sm(II)
|
Ramírez-Solís A.
|
2018
|
10.1021/jacs.8b09857
|
Journal of the American Chemical Society
|
|
Q1
|
|
Artículo en revista científica
|
On the aqueous solvation of AsO(OH)<inf>3</inf>: Vs. As(OH)<inf>3</inf>. Born-Oppenheimer molecular dynamics density functional theory cluster studies
|
Ramírez-Solís A.
|
2018
|
10.1039/c8cp01673a
|
Physical Chemistry Chemical Physics
|
|
Q1
|
|
Artículo en revista científica
|
Aqueous solvation of Mg(ii) and Ca(ii): A Born-Oppenheimer molecular dynamics study of microhydrated gas phase clusters
|
León-Pimentel C.
|
2018
|
10.1063/1.5021348
|
Journal of Chemical Physics
|
|
Q1
|
|
Artículo en revista científica
|
Hydration of CH<inf>3</inf>HgOH and CH<inf>3</inf>HgCl compared to HgCl<inf>2</inf>, HgClOH, and Hg(OH)<inf>2</inf>: A DFT microsolvation cluster approach
|
Amaro-Estrada J.
|
2018
|
10.1063/1.5038418
|
Journal of Chemical Physics
|
|
Q1
|
|
Artículo en revista científica
|
Born-Oppenheimer molecular dynamics studies of Pb(ii) micro hydrated gas phase clusters
|
León-Pimentel C.
|
2017
|
10.1063/1.4976686
|
Journal of Chemical Physics
|
|
Q1
|
|
Artículo en revista científica
|
Methane hydrate: shifting the coexistence temperature to higher temperatures with an external electric field
|
Luis D.
|
2016
|
10.1080/08927022.2016.1139704
|
Molecular Simulation
|
|
Q2
|
|
Conference Paper
|
Behaviour and mobility of arsenic in a mexican hydrosystem impacted by past mining activities
|
Barats A.
|
2016
|
10.1201/b20466-93
|
Arsenic Research and Global Sustainability - Proceedings of the 6th International Congress on Arsenic in the Environment, AS 2016
|
|
|
|
Artículo en revista científica
|
A theoretical study of the hydration of methane, from the aqueous solution to the sI hydrate-liquid water-gas coexistence
|
Luis D.
|
2016
|
10.3390/ijms17060378
|
International Journal of Molecular Sciences
|
|
Q1
|
|
Artículo en revista científica
|
Direct Coexistence Methods to Determine the Solubility of Salts in Water from Numerical Simulations. Test Case NaCl
|
Manzanilla-Granados H.
|
2015
|
10.1021/acs.jpcb.5b00740
|
Journal of Physical Chemistry B
|
|
Q1
|
|
Artículo en revista científica
|
A theoretical study of the dissociation of the sI methane hydrate induced by an external electric field
|
Luis D.
|
2015
|
10.1063/1.4936214
|
Journal of Chemical Physics
|
|
Q1
|
|
Artículo en revista científica
|
A theoretical study of the confinement of methane in water clusters
|
Bravo-Pérez G.
|
2012
|
10.1002/qua.24315
|
International Journal of Quantum Chemistry
|
|
S/C***
|
|
Artículo en revista científica
|
A non-polarizable model of water that yields the dielectric constant and the density anomalies of the liquid: TIP4Q
|
Alejandre J.
|
2011
|
10.1039/c1cp20858f
|
Physical Chemistry Chemical Physics
|
|
S/C***
|
|
Artículo en revista científica
|
A theoretical study of the hydration of Rb<sup>+</sup> by Monte Carlo simulations with refined ab initio-based model potentials
|
San-Román M.
|
2010
|
10.1007/s00214-009-0644-7
|
Theoretical Chemistry Accounts
|
|
S/C***
|
|
Artículo en revista científica
|
Dynamics and structure of Ln(III)-aqua ions: A comparative molecular dynamics study using ab initio based flexible and polarizable model potentials
|
Villa A.
|
2009
|
10.1021/jp8097445
|
Journal of Physical Chemistry B
|
|
S/C***
|
|
Conference Paper
|
Following the path of experimental data from computational biophysics to nanotechnology
|
Saint-Martin H.
|
2008
|
10.1063/1.2901839
|
AIP Conference Proceedings
|
|
|
|
Artículo en revista científica
|
A molecular dynamics calculations of hole transfer rates in DNA strands
|
Volobuyev M.
|
2007
|
10.1021/jp067908h
|
Journal of Physical Chemistry B
|
|
S/C***
|
|
Artículo en revista científica
|
Liquid methanol Monte Carlo simulations with a refined potential which includes polarizability, nonadditivity, and intramolecular relaxation
|
Vald́z-González M.
|
2007
|
10.1063/1.2801538
|
Journal of Chemical Physics
|
|
S/C***
|
|
Artículo en revista científica
|
A theoretical study of the hydration of Li<sup>+</sup> by Monte Carlo simulations with refined ab initio based model potentials
|
San-Román M.
|
2006
|
10.1007/s00214-005-0053-5
|
Theoretical Chemistry Accounts
|
|
S/C***
|
|
Artículo en revista científica
|
Ion hydration in nanopores and the molecular basis of selectivity
|
Carrillo-Tripp M.
|
2006
|
10.1016/j.bpc.2006.04.012
|
Biophysical Chemistry
|
|
S/C***
|