Manoel A. M. Filho

TL;DR: The capability of the use of the Sparkle Model for the prediction of geometries of compounds containing lanthanide trications within the PM7 semiempirical model is emphasized, as well as the usefulness of such semiempireical calculations for materials modeling.

TL;DR: In this paper, the Sparkle Model parameters were used with RM1, a semi-empirical molecular orbital model based exclusively on monoatomic parameters, for the prediction of lanthanide cation-coordinating atom distances.

TL;DR: The RM1 model is presented, designed to be a much more general NDDO model, capable of predicting geometries of lanthanide complexes for the cases when the central lanthanides trication is directly coordinated to any other atoms, not only oxygen or nitrogen.

TL;DR: In this article, a brief history of the myth of the Democratic Rule of Law in Brazil is presented with an emphasis starting on those considered the new social movements that emerge in the second half of 1970's and throughout the whole following decade.

TL;DR: The RM1 model for the lanthanides, being advanced in this article, broadens the range of application of semiempirical models to lanthanide complexes by including comprehensively many other types of bonds not adequately described by the previous models.