Lista de obras - Humberto Saint-Martin - Dominio Público Uruguay

A Four-Site Molecular Model for Simulations of Liquid Methanol and Water-Methanol Mixtures: MeOH-4P.

artículo científico publicado en 2018

A Theoretical Study of the Hydration of Methane, from the Aqueous Solution to the sI Hydrate-Liquid Water-Gas Coexistence.

artículo científico publicado en 2016

A molecular dynamics calculations of hole transfer rates in DNA strands

artículo científico publicado en 2007

A non-polarizable model of water that yields the dielectric constant and the density anomalies of the liquid: TIP4Q.

artículo científico publicado en 2011

A theoretical study of the dissociation of the sI methane hydrate induced by an external electric field

artículo científico publicado en 2015

Ab initio calculations of the pyrophosphate hydrolysis reaction

artículo científico publicado en 1991

An application of flexible constraints in Monte Carlo simulations of the isobaric--isothermal ensemble of liquid water and ice Ih with the polarizable and flexible mobile charge densities in harmonic oscillators model

artículo científico publicado en 2004

Aqueous solvation of Mg(ii) and Ca(ii): A Born-Oppenheimer molecular dynamics study of microhydrated gas phase clusters.

artículo científico publicado en 2018

Born-Oppenheimer molecular dynamics studies of Pb(ii) micro hydrated gas phase clusters

artículo científico

Direct Coexistence Methods to Determine the Solubility of Salts in Water from Numerical Simulations. Test Case NaCl.

artículo científico publicado en 2015

Dynamics and Structure of Ln(III)−Aqua Ions: A Comparative Molecular Dynamics Study Using ab Initio Based Flexible and Polarizable Model Potentials

artículo científico publicado en 2009

Experimental and Theoretical Studies on the Aqueous Solvation and Reactivity of SmCl2 and Comparison with SmBr2 and SmI2

artículo científico publicado en 2019

Hydration of CHHgOH and CHHgCl compared to HgCl, HgClOH, and Hg(OH): A DFT microsolvation cluster approach

article

Ion hydration in nanopores and the molecular basis of selectivity

artículo científico publicado en 2006

Liquid methanol Monte Carlo simulations with a refined potential which includes polarizability, nonadditivity, and intramolecular relaxation

scientific article published on 01 December 2007

Minimalist molecular model for nanopore selectivity

scientific article published on 14 October 2004

Proton donor effects on the reactivity of SmI2. Experimental and theoretical studies on methanol solvation vs. aqueous solvation

artículo científico publicado en 2020

Study of the Elusive Hydration of Pb2+ from the Gas Phase to the Liquid Aqueous Solution: Modeling the Hemidirected Solvation with a Polarizable MCDHO Force-Field