2 resultados para DFT conceptual
em Universidade Federal do Rio Grande do Norte(UFRN)
Resumo:
The work objectified to apprehend the degree of the teachers' concept concerning the territory concept and to intervene with situations of critical reflections to accompany and to analyze the process of conceptual elaboration. It contemplates on the (new)meaning of knowledge and (new)elaboration of the concept in study done inside a pedagogic intervention. The Municipal School Dr. Julio Senna - Ceará-Mirim/RN and six (6) teacher-collaborators that taught in the 3rd and 4th grades of the fundamental teaching, constitutes the empiric field of the research. Its theoretical-methodological contributions are built in the studies of Vigotski (2000a, 2000b and 2001) on the formation process and development of concepts; in the methodology colaborate (Ibiapina (2004), Bartomé (1986), Kemmis and Mctaggart (1988), Arnal, Del Ricon and Latorre (1992), Pepper and Ghedin (2002), among others) and in the critical-reflexive conception of the Geography (Soares Júnior (2000 and 1994), Silva (1998), Raffestin (1993), Santos (1994), Felipe (1998), among others). The accomplishment of the work presupposed starting from the reflections on the following subjects: which the teachers' understanding in the school space concerning the territory concept? How does happen the process of conceptual construction territory for the teachers? The analysis of the teachers' previous knowledge on the concept in study, evidenced that its apprehensions on the attributes of the referred concept went mentioned the to light of the perceptible dimension of the real-concrete relationships of the reality linked to the degree of the spontaneous concepts and followed by the ideas of the traditional, humanistic and cultural geographical conceptions (positivism and phenomenology), restricting the territory meaning the notion of State-Nation and place of the men's dwelling. In the intervention process, it was verified to real possibility of the acquisition of indispensable scientific concepts to the process of (new)meaning conceptual of geographical knowledge through the continuous practice of the educational formation, when it was evidenced that the teacher-collaborators acquired high degrees of attributions of the significance of the territory concept to the they elaborate generalizations by means of analyses and syntheses of the concept-attribute (essential and multiples) of the reference conceptual in study
Resumo:
This work is a study of coordination compounds by quantum theory of atoms in molecules (QTAIM), based on the topological analysis of the electron density of molecular systems, both theoretically and experimentally obtained. The coordination chemistry topics which were studied are the chelate effect, bent titanocene and chemical bond in coordination complexes. The chelate effect was investigated according to topological and thermodynamic parameters. The exchange of monodentate ligands on polydentate ligands from same transition metal increases the stability of the complex both from entropy and enthalpy contributions. In some cases, the latter had a higher contribution to the stability of the complex in comparison with entropy. This enthalpic contribution is explained according to topological analysis of the M-ligand bonds where polidentate complex had higher values of electron density of bond critical point, Laplacian of electron density of bond critical point and delocalization index (number of shared electrons between two atoms). In the second chapter, was studied bent titanocenes with bulky cyclopentadienyl derivative π-ligand. The topological study showed the presence of secondary interactions between the atoms of π-ligands or between atoms of π-ligand and -ligand. It was found that, in the case of titanocenes with small difference in point group symmetry and with bulky ligands, there was an nearly linear relationship between stability and delocalization index involving the ring carbon atoms (Cp) and the titanium. However, the titanocene stability is not only related to the interaction between Ti and C atoms of Cp ring, but secondary interactions also play important role on the stability of voluminous titanocenes. The third chapter deals with the chemical bond in coordination compounds by means of QTAIM. The quantum theory of atoms in molecules so far classifies bonds and chemical interactions in two categories: closed shell interaction (ionic bond, hydrogen bond, van der Waals interaction, etc) and shared interaction (covalent bond). Based on topological parameters such as electron density, Laplacian of electron density, delocalization index, among others, was classified the chemical bond in coordination compounds as an intermediate between closed shell and shared interactions