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The Quantum Electronic Partitioning as Modernization in the Studies of the Intermolecular Interactions

Throughout the years, the evolution in the works involving hydrogen bond based on the direct determination of the interaction energy has become limited in order to characterize the electronic nature and interaction strength of the intermolecular system. Through a quantum mechanical formalism, the electronic partitioning has been considered a modernizing methodology in the studies of intermolecular interactions, unveil it at the light of electrostatic, Exchange, dispersion and induction contributions

A Formalization of the Theorem of Existence of First-Order Most General Unifiers

This work presents a formalization of the theorem of existence of most general unifiers in first-order signatures in the higher-order proof assistant PVS. The distinguishing feature of this formalization is that it remains close to the textbook proofs that are based on proving the correctness of the well-known Robinson's first-order unification algorithm. The formalization was applied inside a PVS development for term rewriting systems that provides a complete formalization of the Knuth-Bendix Critical Pair theorem, among other relevant theorems of the theory of rewriting. In addition, the formalization methodology has been proved of practical use in order to verify the correctness of unification algorithms in the style of the original Robinson's unification algorithm.Comment: In Proceedings LSFA 2011, arXiv:1203.542

OS USOS DAS ‘IMAGENS EM MOVIMENTO’ NA ESCOLA: O QUE ESTÁ PRESENTE NO CURRÍCULO?

Este artigo é parte integrante de um projeto de pesquisa, ainda iniciante, para a elaboração de minha dissertação de mestrado no Programa de Pós-Graduação em Educação. Ele visa problematizar a ausência do cinema no currículo escolar do município de Cabaceiras, tentando entender porque a escola tem se colocado à margem das práticas educativas que este meio midiático vem suscitando através do projeto “Roliúde Nordestina” na cidade. Constatamos, até então, que a cidade tem se voltado ao turismo sustentável, capacitando seus condutores turísticos através de um conhecimento informativo que é transmitido pelos órgãos de turismo, com a participação do SEBRAE. Entendendo o cinema como uma Pedagogia Cultural e a Educação como a formação que recebe o sujeito cotidianamente, nos apropriamos dos Estudos Culturais como um referencial teórico, que toma o cinema como um artefato cultural que produz significados e conhecimentos conforme a cultura em que se inscreve e que por isso deve ser problematizado, inclusive pelo campo da Educação

II Chemistry Conference of West Bahia

The II Chemistry Conference of West Bahia, also well-known as II JornaQui [1], it has become a traditional regional event in the state of Bahia. It was conceived with a proposal on behalf of the Núcleo de Ensino, Pesquisa e Extensão de Química (NEPEQ) of the Universidade Federal do Oeste da Bahia (UFOB) in order to improve the quality of the researches in chemistry of the west Bahia. This special issue brings a bit of works presented as poster along the II JornaQui, although henceforth, they were selected as full manuscripts for editorial evaluation. As can be seen, this special issue presents researches on theoretical chemistry with application of computational calculations for intermolecular systems, biological evaluations of nature compounds, determination of physical chemistry parameters of water used for agriculture, studies of inorganic compounds on rice husk produced in west region, as well as a full and brief overview of the pesticides used in this regard. Boaz Galdino de Oliveira (UFOB) Chairman  [1]          Conference website: http://jornaqui.ufob.edu.br/</p

The Interaction Strength, Frequency-shifts and Covalence of the C2H4O∙∙∙HOCl and C2H5N∙∙∙HOCl Heterocyclic Complexes

A theoretical study of the structural parameters, electronic properties and vibration modes of the C2H4O∙∙∙HOCl and C2H5N∙∙∙HOCl complexes. The great particularity of these complexes is the O–Cl s-hole, which is considered a proton donor center due to the depletion of charge density along the bonding axis. The examination of the interaction strength complexes was conducted through the intermolecular length, interaction energy and charge transference. The red shifts in the stretch frequencies of the H–O and O–Cl bonds as well as the identification of the new vibration modes were also presented.&nbsp; Regarding the hybrid orbitals, the contributions of the s and p orbitals were used to value the red shifts in the H–O and O–Cl bonds. The covalence of the O∙∙∙H and N∙∙∙H hydrogen bonds was also examined. DOI:&nbsp;http://dx.doi.org/10.17807/orbital.v9i2.85