List of works - Humberto Saint-Martin

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

scientific article published on 22 March 2018

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

scientific article published on 26 May 2016

A molecular dynamics calculations of hole transfer rates in DNA strands

scientific article published on 28 August 2007

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

scientific article published on 15 September 2011

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

scientific article published on 01 November 2015

Ab initio calculations of the pyrophosphate hydrolysis reaction

scientific article published on 01 November 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

scientific article published on 01 June 2004

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

scientific article published in April 2018

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

scientific article published on February 2017

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

scientific article published on 17 June 2015

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

scientific article published on 21 May 2009

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

scientific article published on 04 October 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

scientific article published on 03 May 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

scientific article published on 02 June 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

scientific article published on 18 October 2019

The role of hydration in the hydrolysis of pyrophosphate. A Monte Carlo simulation with polarizable-type interaction potentials

scientific article published on 01 July 1994

Water liquid-vapor equilibria predicted by refined ab initio derived potentials

scientific article published on 01 July 2005

Water models based on a single potential energy surface and different molecular degrees of freedom

scientific article published on 01 June 2005

List of works by Humberto Saint-Martin