EmotiBlog: a model to learn subjective information detection in the new textual genres of the Web 2.0 -a multilingual and multi-genre approach-

Tesis doctoral con mención europea en procesamiento del lenguaje natural realizada en la Universidad de Alicante por Ester Boldrini bajo la dirección del Dr. Patricio Martínez-Barco. El acto de defensa de la tesis tuvo lugar en la Universidad de Alicante el 23 de enero de 2012 ante el tribunal formado por los doctores Manuel Palomar (Universidad de Alicante), Dr. Paloma Moreda (UA), Dr. Mariona Taulé (Universidad de Barcelona), Dr. Horacio Saggion (Universitat Pompeu Fabra) y Dr. Mike Thelwall (University of Wolverhampton). Calificación: Sobresaliente Cum Laude por unanimidad.

Unraveling the performance of dispersion-corrected functionals for the accurate description of weakly bound natural polyphenols

Long-range non-covalent interactions play a key role in the chemistry of natural polyphenols. We have previously proposed a description of supramolecular polyphenol complexes by the B3P86 density functional coupled with some corrections for dispersion. We couple here the B3P86 functional with the D3 correction for dispersion, assessing systematically the accuracy of the new B3P86-D3 model using for that the well-known S66, HB23, NCCE31, and S12L datasets for non-covalent interactions. Furthermore, the association energies of these complexes were carefully compared to those obtained by other dispersion-corrected functionals, such as B(3)LYP-D3, BP86-D3 or B3P86-NL. Finally, this set of models were also applied to a database composed of seven non-covalent polyphenol complexes of the most interest.