Search filters

List of works by Michel Masella

Further insights in the ability of classical nonadditive potentials to model actinide ion-water interactions

scientific article published on 12 December 2012

Improving the description of solvent pairwise interactions using local solute/solvent three-body functions. The case of halides and carboxylates in aqueous environment

scientific article published on 31 January 2019

Ion hydration free energies and water surface potential in water nano drops: The cluster pair approximation and the proton hydration Gibbs free energy in solution

scientific article published on 01 November 2019

Modeling the hydration of mono-atomic anions from the gas phase to the bulk phase: the case of the halide ions F-, Cl-, and Br-.

scientific article published in January 2012

Organic ion association in aqueous phase and ab initio-based force fields: The case of carboxylate/ammonium salts.

scientific article published in October 2017

Properties of the tetravalent actinide series in aqueous phase from a microscopic simulation self-consistent engine

scientific article published on 01 January 2020

Quantum chemical and molecular dynamics study of the coordination of Th(IV) in aqueous solvent

scientific article published on 11 November 2010

Revisiting a many-body model for water based on a single polarizable site: from gas phase clusters to liquid and air/liquid water systems

scientific article published in September 2013

Solvation of the Guanidinium Ion in Pure Aqueous Environments: A Theoretical Study from an "Ab Initio"-Based Polarizable Force Field.

scientific article

Structural, dynamical, and transport properties of the hydrated halides: How do At(-) bulk properties compare with those of the other halides, from F(-) to I(-)?

scientific article

The fast multipole method and point dipole moment polarizable force fields ⬇️

scientific article published on January 2015

Paulina is supported by:

About Paulina

Help