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

artículo científico publicado en 2012

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

artículo científico publicado en 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-.

artículo científico publicado en 2012

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

artículo científico publicado en 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

artículo científico publicado en 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

artículo científico publicado en 2013

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

artículo científico publicado en 2017

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(-)?

artículo científico publicado en 2016

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

artículo científico publicado en 2015

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