A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components

A comparision of the local effects of the basis set superposition error (BSSE) on the electron densities and energy components of three representative H-bonded complexes was carried out. The electron densities were obtained with Hartee-Fock and density functional theory versions of the chemical Hamiltonian approach (CHA) methodology. It was shown that the effects of the BSSE were common for all complexes studied. The electron density difference maps and the chemical energy component analysis (CECA) analysis confirmed that the local effects of the BSSE were different when diffuse functions were present in the calculations

One- and two-center energy components in the atoms in molecules theory

The energy decomposition scheme proposed in a recent paper has been realized by performing numerical integrations. The sample calculations carried out for some simple molecules show excellent agreement with the chemical picture of molecules, indicating that such an energy decomposition analysis can be useful from the point of view of connecting quantum mechanics with the genuine chemical concepts

Diagnosi ambiental del a riera d’Osor

Amb aquesta diagnosi es plantegen quatre objectius: determinar l’origen de la contaminació per metalls pesant, diagnosi de l’estat actual en relació a la contaminació, relacionant tots els components que formen l’ecosistema fluvial, valorar la percepció social sobre l’estat de la riera i proporcionar una visió global i integradora amb la qual es puguin preveure situacions futures i conduir possibles mesures de gestió.

Solució mental i solució motriu en la iniciació als esports col·lectius en l'Educació Primària

The adjustment of the teaching learning contents in Physical Education, requires of a rigorous analysis that permits to adjust them to the maximum with the educational needs of the student body. It has been approached an investigation study in the one which have intervened pupils, boys and girls, of two different populations, Girona and Madrid in order to prove and analyse the motor and mental components of the student body in the real situation of the game. The hypothesis that we have treated are:if it exists differences between the boys and girls of the educational levels studied in the motor and mental solution in the sports initiation, additionally, the differences that they can exist between the courses and what distance is verified between the study ages to approach a physical activity that implies an initial step to the hour of teaching the collective sports in the classes of Physical education. They have been employed three measure instruments: the first permits to analyse the mental solution without need of practice employing situation photographs of the real game with those which the pupils must choose to who to happen; the second is a pass test that permits to prove the technical dominance to use in a collective sport and the third is a real game situation that permits to put in manifesto the relationship between the mental behaviour and the motor of the pupil. This real game situation is ‘the game of ten pass’ (Blázquez,1986; Torres,1993). The results demonstrate that it do not exist differences between the two sexes in the study ages. In the case of the technical execution level, there is a considerable increase with the age and it is slightly greater in the kids that in the girls. In the case of the real game, we find ourselves with a great variability in the results and we cannot conclude that there are relative differences to the sex in none of the three courses. Respect at participation level during the game is confirmed that the pupils that more participate are not the pupils than more balls lose, what permits to guarantee the idea of the fact that it is convenient to use the real game practice as direct learning element. Finally, there is no a high correlation between the execution level measured in the test of technical execution and the decision execution during the game

SIG de parques y jardines de Figueres

El proyecto ‘SIG de parques y jardines de Figueres’ es un proyecto complejo que integra aplicaciones SIGweb y SIG desktop, para la gestión y comunicación del estado y características de la vegetación urbana de la ciudad de Figueres. A lo largo del artículo se describen las diferentes soluciones tecnológicas desarrolladas, sus funciones y componentes

Geolocalizador de noticias temáticas: el caso de los riesgos naturales

Las bases de datos geoespaciales temáticas en distintas escalas geográficas y temporales, son necesarias en multitud de líneas de investigación. Una de ellas es la gestión y alerta temprana de riesgos de desastres por amenazas naturales (inundaciones, huracanes, terremotos, etc.). Las noticias sobre éste tema se publican habitualmente en periódicos digitales de todo el mundo y comportan un alto contenido geográfico. Este trabajo pretende extraer automáticamente las noticias emitidas por canales de re-difusión web (conocidos por las siglas RSS en inglés) para georreferenciarlas, almacenarlas y distribuirlas como datos geoespaciales. Mediante técnicas de procesamiento de lenguaje natural y consultas a bases de datos de topónimos realizaremos la extracción de la información. El caso de estudio se aplicará para México y todos los componentes utilizados serán de código abierto

Signergias: red de coordinación de proyectos de SIG libre

La creciente importancia del uso de las aplicaciones SIG en las administraciones públicas, tanto españolas como europeas, ha dado lugar al surgimiento de diversos proyectos de desarrollo de software basados en licencias libres, cada uno de los cuales se dirige a un sector determinado de usuarios. Además, cada uno de estos proyectos define un modelo conceptual de datos para almacenar la información, servicios o módulos para el acceso a esa a información y funcionalidad que se le ofrece al usuario. La mayor parte de las veces estos proyectos se desarrollan de forma independiente a pesar de que existen interrelaciones claras entre todos ellos tales como compartir partes del modelo de datos, el interés común en dar soporte a aplicaciones de gestión municipal o el hecho de utilizar como base los mismos componentes. Estos motivos recomiendan buscar la confluencia entre los proyectos con el objetivo de evitar desarrollos duplicados y favorecer su integración e interoperabilidad. Por este motivo, en Enero de 2009 se constituyó la red signergias que busca mantener en contacto a los responsables de arquitectura y de desarrollo de estos proyectos con el fin de analizar las posibilidades de confluencia y de llegar a acuerdos que permitan compartir modelos de datos, definir de forma conjunta servicios y funcionalidades, o intercambiar componentes de software. En este artículo se describe la motivación de la creación de la red, sus objetivos, su forma de funcionamiento y los resultados alcanzados

Disseny d'un banc de proves per a poder mesurar les pèrdues de fregament i rodadura [sic] de pneumàtics

Dintre del projecte del cotxe de baix consum “Àliga”, vehicle experimental que participa en la “Eco-Shell Marathon”, una competició internacional que es realitza anualment, el projecte tracta del disseny d’un banc de proves per a poder mesurar les pèrdues de fregament dels pneumàtics provant diferents pressions, càrregues suportades, angles de la direcció, tipus de pneumàtics i diversos components del sistema de direcció

Trace elements biogeochemistry in high mountain lake catchments: identifying anthropogenic versus natural components from the atmospheric contamination legacy in remote natural areas

Human activities have been interfering with the natural biogeochemical cycles of trace elements since the ancient civilizations. Although they are inaccessible and remote, high mountain lake catchments are irrefutably trace-element contaminated by anthropogenic emissions, which can travel by long-range atmospheric transport before they are deposited. This has been revealed by several natural archives. High mountain lake catchments are thus excellent sentinels of long-range contamination. Continuous accumulation can lead to a build up of potentially toxic trace elements in these remote, or relatively remote, ecosystems. The thesis focuses on the biogeochemistry of a suite of trace elements of environmental concern (Ni, Cu, Zn, As, Se, Cd and Pb) in Pyrenean lake catchments, with special emphasis on discerning the “natural” components from the “anthropogenic” contributions. Five other metallic elements (Al, Fe, Ti, Mn and Zr) have also been studied to trace natural fluxes and biogeochemical processes within the lake catchment systems.

From enforced silence to creative silence : Amitav Ghosh’s ''The Hungry Tide''

Neste ensaio, procuro explorar como Ghosh traça a trajetória do silêncio do subalterno, principalmente através do personagem Fokir, enquanto movimento que ocorre desde o ato de ser silenciado até ao primeiro ato de resistência a esse silêncio, em seguida, até ao ato de se apropriar desse silêncio e, finalmente, até uma derradeira jornada que consiste em tornar esse silêncio seu, transformando- o de tal modo que acaba por caracterizar o seu, o nosso, modo de saber e ser. O silêncio não se opõe, então, à linguagem, mas é algo complementar: acrescenta significado à linguagem. O silêncio funciona aqui enquanto retórica e, como se verá, não é tratado em termo dos binários ocidentais como algo que se opõe ao discurso e que é caracterizado pela ausência. O meu argumento neste ensaio é semelhante ao do escritor Phulboni em The Calcutta Chromosome - o silêncio é caracterizado pela presença e possui vida própria; o silêncio é, aqui, uma força criativa. Em ambos os casos, será uma questão de escolha o facto de se ter em consideração as personagens subalternas ou marginais. Os grupos de subalternos usam frequentemente o silêncio como retórica, uma vez que muitas vezes lhes é negado o privilégio de representação nas narrativas principais. O silêncio seria, muitas vezes, uma ferramenta melhor do que a linguagem, porque a linguagem é o discurso dos poderosos. O silêncio não resistiria à equação do poder, mas também corromperia as mesmas ferramentas responsáveis pela criação da discriminação. Neste ensaio, gostaria de salientar como em The Hungry Tide, de Ghosh, nos deparamos com uma viagem que parte de um silêncio forçado para um silêncio criativo e colaborativo.

A orientação homossexual e as investigações acerca da existência de componentes biológicos e genéticos determinantes; The homosexual orientation and investigations about the existence of components biological and genetics determinants

The male and female homosexual orientation has substantial prevalence in humans and can be explained by determinants of various levels: biological, genetic, psychological, social and cultural. However, the biological and genetic evidence have been the main hypotheses tested in scientific research in the world. This article aims to review research studies about the existence of genetic and biological evidence that determine homosexual orientation. Was conducted a review of the literature, using the database MedLine/PubMed and Google scholar. The papers and books were searched in Portuguese and English, using the following keywords: sexual orientation, sexual behavior, homosexuality, developmental Biology and genetics. Was selected papers of the last 22 years. Were found five main theories about the biological components: (1) fraternal birth order, (2) brain androgenization and 2D:4D ratio; (3) brain activation by pheromones; and (4) epigenetic inheritance; and four theories about the genetic components: (1) genetic polymorphism; (2) pattern of X-linked inheritance; (3) monozygotic twins; and (4) sexual antagonistic selection. Concluded that there were many scientific evidence found over time to explain some of biological and genetic components of homosexuality, especially in males. However, today, there is no definitive explanation about what are the determinants of homosexual orientation components.

A comparative study of the creative expressions in paint and clay of deaf and hearing children

This paper discusses the results of study to determine differences in artwork done by hearing impaired and normal hearing children.

Does experience in creative art influence the written self-expression of the deaf child?

This paper discusses whether participation in creative art affects the hearing impaired child's self expression in written language.

Components of an oral program that can be implemented with culturally and linguistically diverse deaf and hard of hearing children and their families

This study examined oral education components that could be successfully implemented with culturally and linguistically diverse deaf and hard of hearing (DHH) children and their families. A literature review of oral program strategies used with culturally diverse families and their children with special needs, and federal guidelines related to programs serving DHH children were conducted. Recent statistics of children in programs for DHH students who are from racially and linguistically diverse backgrounds were discussed. Additional data sources included classroom observations and multidisciplinary interviews. The data obtained was utilized to design a framework for oral programs to support culturally and linguistically diverse DHH children and their families.

A theme-based creative movement curriculum for deaf and hard of hearing students: Focus on speech, language and audition skills

The purpose of this study was to develop a theme based creative movement curriculum that would help hearing-impaired students develop language, speech and audition skills.