Density Functional Development
Mostrando 13-24 de 80 artigos, teses e dissertações.
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13. Desenvolvimento de novas aproximações para simulações ab initio / Development of new approximations for ab initio simulations
Simulações computacionais são ferramentas essenciais para a compreensão num nível microscópico de diversos fenômenos que ocorrem na natureza. Em particular, simulações ab initio, isto é, de primeiros princípios, podem predizer novas propriedades e auxiliar na interpretação de resultados experimentais, sem a necessidade de potenciais empíricos o
Publicado em: 2010
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14. Efeito do uso combinado de ácidos graxos poliinsaturados ômega 3 e estatinas sobre biomarcadores do estresse oxidativo em mulheres com dislipidemia / Effect of omega 3 polyunsaturated fatty acids suplementation combined with statins on oxidative stress measured in dyslipidemic women
Food and supplements that contain n-3 fatty acids, such as eicosapentaenoic (EPA) and docosahexaenoic (DHA) acids, have been commercialized using functional claim to reduce triacylglycerol (TG) concentration and, hence, reduce the risk of cardiovascular diseases. However, as these fatty acids are highly unsaturated, the chronic consumption in high doses coul
Publicado em: 2010
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15. Estoques de biomassa e de nutrientes de pousios enriquecidos com Inga edulis Martius em áreas com histórico de agricultura e de pecuária no Assentamento Tarumã-Mirím, Manaus- AM / Stocks of biomass and nutrients in forest fallow enriched with Inga edulis Martius in sites with a history of agriculture and pasture in the rural settlement Tarumã-Mirím, Manaus - AM
Deforestation rates of primary forests in the humid tropics have been growing intensively in recent years, due mainly to the development of shifting cultivation and extensive pasture. After forest fragmentation and conversion to agricultural use, the cleared areas of rainforest are usually abandoned so there is natural regeneration of vegetation and slow res
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 04/12/2009
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16. Efficiency of flamers in the weeds control / Eficiencia de flamejadores no controle de plantas daninhas
In agricultural production systems have been employed various techniques to achieve the goals focused on sustainability. Tactics or tools of management are adopted in order to provide greater productivity, lower impact on natural resources and better human development. The control of weeds in these systems has sued constant studies for improving performance
Publicado em: 2009
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17. Development of digital behind-the-ear hearing aid with minimal specifications / Desenvolvimento de prótese auditiva retroauricular, digital e de especificações mínimas
The International Federation of Oto-Rhino-Laryngological Societies (IFOS) estimates as 10% the total amount of hearing impaired in United States. The Better Hearing Institute asserts that in United States about 31 million people have hearing losses in some degree, say around 10% of total population. Increasing the amount of hearing-impaired there is a list o
Publicado em: 2009
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18. Estudo da desativação do agente VX usando o MgO por cálculos ab initio
The organophosphates are used in industry, in the fields of dyes, varnishes, artificial leather, electrical insulation, waterproofing, plastics, oil additives and solvents, are also used in medicine to treat diseases such as glaucoma, in the household and in agriculture are applied as insecticides and pesticides. Besides these various civilian facilities, th
Publicado em: 2009
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19. Contextualização taxonômica, tafonômica e morfométrica dos remanescentes ósseos da megamastofauna da Gruta Cuvieri (MG), um sítio paleontológico do Pleistoceno tardio / Taxonomic, taphonomic and morphometric contextualization of the megamastofauna bone remains from Cuvieri Cave (MG), a Late Pleistocene Palaeontological Site.
The limited knowledge regarding the Brazilian megafauna (due to a mainly taxonomist tradition of brazilian paleontologists) and the lack of controlled stratigraphic excavations of paleontological sites in Brazil motivated the excavations of Cuvieri Cave, Minas Gerais, using an unprecedented method of excavation in the country, based on detailed exhumation of
Publicado em: 2008
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20. A influÃncia da configuraÃÃo fÃsico-espacial nas condiÃÃes de habitabilidade: um estudo das vilas do loteamento Simol, MaceiÃ-AL
The process of redivision of lots at the site of Simol in MaceiÃ, Alagoas, has led to the appearance of vilas [informal low-income settlements]. The aim of this study is to identify the elements of the physico-spatial configuration of the vilas that affect their habitability as seen by the residents. The investigation included five methodological phases. 1.
Publicado em: 2008
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21. "Planejamento de quinonas com atividade tripanossomicida" / Planning of quinone compounds with trypanocidal activity
A set of 25 quinone compounds with anti-trypanocidal activity was studied by using the Density Functional Theory (DFT) method in order to calculate electronic atomic and molecular properties to be correlated with the biological activity. The chemometric methods Principal Component Analysis (PCA), Hierarchical Cluster Analysis (HCA), Stepwise Discriminant Ana
Publicado em: 2007
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22. Potentiality of application of Yacon (Polymnia sonchifolia) flour on cereal-based products. / Potencialidade de aplicação de farinha de yacon (Polymnia sonchifolia) em produtos a base de cereais.
This study aimed at evaluating the application of yacon (Polymnia sonchifolia) flour in cereal-based products such as pound cake, "Champurrada" type biscuits and rice-based snacks produced by a thermoplastic extrusion process. Thus the effect of incorporating yacon flour into the snacks and the partial substitution of wheat flour by yacon flour in the cake a
Publicado em: 2007
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23. Species assembly rules and the biodiversity-ecosystem functioning relationship / Regras entre assemblÃias de espÃcies: relaÃÃo entre biodiversidade e funcionamento do ecossistema
The biological diversity of ecosystems has important implications for their functioning. However, in order for reliable predictions to be made on the effects of species extinctions and/or additions on particular ecosystem functions, accurate knowledge is required on the ways in which species interact. These interactions in turn are important drivers of commu
Publicado em: 2007
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24. Desenvolvimento de marcadores moleculares EST-SSRs e mapeamento funcional em cana-de-açucar (Saccharum spp.) / Development of EST-SSR molecular markers and functional mapping in sugarcane
Sugarcane (Saccharum spp.) is one of the most important cash crops, highly contributing towards the production of raw sugar and bioethanol produced worldwide. Even though Brazil is the major producer, sugar yield is considered low. Breeding programs for the attainment of new improved sugarcane varieties, which are more productive and more resistant to plague
Publicado em: 2006