Ph.D thesis

My Ph. D. Thesis (1998-2003, University of Oviedo) entitled ‘Molecular associations: analysis of the nature of the interaction in van der Waals dimers and trimers complexes’ was aimed to analyze the nature of the intermolecular interactions of weakly bound systems by means of quantum chemical methods. The results obtained during my Ph. D Thesis, awarded with the Ph. D. excellence award of the University of Oviedo, have been collected in 12 papers published in journals within the 25% highest impact factor journals within their area of knowledge, being the first author in all of them but one (see CV).

During my Ph. D. studies and financed by the pre-doctoral Marie Curie program, I spent a total of 8 months in the group of Prof. Petr Carsky at the J. Heyrovsky Institute of Physical Chemistry (Prague, Czech Republic) learning about multireference methods. As an outcome of this stay, we have published a paper in which the applicability of the Brillouin-Wigner multireference method to the study of chemical reactions is analyzed (Valdés et al. Chem. Phys. Lett. 2004, 386, 211).

Thanks to the experience acquired at that time on multireference methods, I have been able to collaborate during the last years with the group of Prof. A. Largo (University of Valladolid) in the study of small systems (cianures and isocianures) containing transition metals which has given fruitful results in the form of, up to now, three papers (see CV).

Additionally, I have been involved in another project about Zn II and Ca II complexes of biological relevance in collaboration with Dr. V. Rayón (University of Valladolid) and, Dr. D. Suárez and N. Díaz (University of Oviedo), published in J. Chem. Theor. Comput. and J. Phys. Chem., respectively, which we are currently extending to the study of other biologically relevant metals such as magnesium.


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