CARALAMPIO MÍNGUEZ , Daniel Zein

The physicochemical properties of the three heaviest alkaline-earth cations, Sr2+, Ba2+, and Ra2+ in water have been studied by means of classical molecular dynamics (MD) simulations. A specific set of cation-water intermolecular potentials based on ab initio potential energy surfaces has been built on the basis of the hydrated ion concept. The...

Knowledge of actinoid solution chemistry hasbeen enriched with the recent synthesis and characterizationof the elusive Ac(III) aqua ion, thefirst one of the series, forwhich extended X-ray absorptionfine structure (EXAFS) andX-ray absorption near-edge structure (XANES) spectra hasbeen recorded. Structural analysis combined with Born−Oppenheimer...

Solution chemistry of Co(II) is receiving a renewal attention due to the high interest for knowing the speciation in seawater of its (Formula presented.) Co radioactive isotope which appeared in the Japan sea as a consequence of the Fukushima-Daichii nuclear power plant accident. Experimental EXAFS and XANES spectra of a dilute Co(II) aqueous...