Importance of the embedding environment on the strain within small rings in siliceous materials

The effect of the local environment on the energetic strain within small (SiO)N rings (with N=2,3) in silica materials is investigated via periodic model systems employing density functional calculations. Through comparison of the energies of various nonterminated systems containing small rings in strained and relatively unstrained environments, with alpha quartz, we demonstrate how small ring strain is affected by the nature of the embedding environment. We compare our findings with numerous previously reported calculations, often predicting significantly different small-ring strain energies, leading to a critical assessment of methods of calculating accurate localized ring energies. The results have relevance for estimates of the strain-induced response (e.g., chemical, photo, and radio) of small silica rings, and the propensity for them to form in bulk glasses, thin films, and nanoclusters.

Ionic-covalent transition in titanium oxides

The nature of the chemical bond in three titanium oxides of different crystal structure and different formal oxidation state has been studied by means of the ab initio cluster-model approach. The covalent and ionic contributions to the bond have been measured from different theoretical techniques. All the analysis is consistent with an increasing of covalence in the TiO, Ti2O3, and TiO2 series as expected from chemical intuition. Moreover, the use of the ab initio cluster-model approach combined with different theoretical techniques has permitted us to quantify the degree of ionic character, showing that while TiO can approximately be described as an ionic compound, TiO2 is better viewed as a rather covalent oxide.

La teoría de los clivajes y el conflicto social moderno

This article was delivered as an area-paper to the Critical Political Science Meeting of Bilbao, November the 15th 2008, which was organized by the Political Science Department of the UPV (University of the Basque Country). The paper introduces an updated and synthetic version of the model designed by S.M. Lipset and S. Rokkan in 1967 in order to identify the confrontational divides distinctive of European modernization and, in this way, trace the origins of modern party systems. The expanded model proposed is applied, on the one hand, to a variety of empirical cases, prominently the postransitional Spanish case; and on the other, shows its usefulness in order to better understand the distinctive structure of the social conflict of the globalization era.