Computational Characterization
Mostrando 13-24 de 115 artigos, teses e dissertações.
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13. Modulating the electronic structure of amino acids: interaction of model lewis acids with anthranilic acid
On the basis of theoretical B3LYP calculations, Yáñez and co-workers (J. Chem. Theory Comput. 2012, 8, 2293) illustrated that beryllium ions are capable of significantly modulating (changing) the electronic structures of imidazole. In this computational organic chemistry study, the interaction of this β-amino acid and five model Lewis acids (BeF1+, Be2+,
Quím. Nova. Publicado em: 2014
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14. Evaluation of wavelength selection methods for 2D fluorescence spectra applied to bioprocesses characterization
In biotechnological processes, the productivity and costs depend strongly on the control of the operating conditions. For this reason, sensors that allow the monitoring of variables of interest become quite important. 2D fluorescence spectroscopy is one promising option among those that are being applied for this purpose. In the present work, three methods w
Braz. J. Chem. Eng.. Publicado em: 2013-06
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15. Caracterização estrutural e eletrônica da zircônia pura e com defeitos e impurezas / Structural and electronic characterization of zirconia, pristine and with impurities
In this investigation we studied the electronic properties and the structural stabilities of zirconia (ZrO2), as well as oxygen vacancy and Ce substitutional impurity. The investigations were carried by computational simulations using ab initio methods, based on the density functional theory and the APW + lo (Aumengted Plane Waves plus local orbitals) method
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 09/12/2011
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16. DESENVOLVIMENTO DE OBJETOS SIMULADORES PARA MEDICINA NUCLEAR. / DEVELOPMENT OF PHANTOMS FOR NUCLEAR MEDICINE.
The phantoms used in Brazil are mostly imported and have relatively high financial cost. Although these phantoms can be considered as essentials for use in quality control, probably high quotas and import bureaucracy are obstacles to their acquisition by the nuclear medicine departments. The main objective of this work was the development of national phantom
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 14/11/2011
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17. Processamento de sinais de descargas parciais em tempo real com base em wavelets e seleção de coeficientes adaptativa espacialmente
On-line partial discharge (PD) analysis is a highly pursued feature due to the economy related to scheduled shutdowns, disassembling and transport. Nevertheless, on-site PD measurements are frequently limited by interferences found in high-voltage facilities, a situation that imposes the continued development of PD signal processing methods. In the last year
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 04/11/2011
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18. Um estudo sobre tensões induzidas por descargas atmosféricas em linhas de transmissão
The study of lightning and the resulting induced voltages is very important in the process of designing of transmission lines. In this work it will be presented problems that can be caused by such phenomenon in electrical systems, as a consequence of these voltages peaks. A analysis of the characterization of atmospheric discharge is performed in order to un
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 02/09/2011
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19. Caracterização de estado sólido e análise computacional de uma nova forma cristalina do fármaco antifilariose dietilcarbamazina: um sal de ácido maleico / Characterization of solid state and computational analysis of a new crystalline form of the antifilarial drug diethylcarbamazine: a maleic acid salt
A caracterização no estado sólido de insumos farmacêuticos constitui uma parte muito importante no entendimento de suas propriedades físicas, químicas e farmacológicas. A partir da análise estrutural por difração de raios X em monocristal, pode-se identificar a conformação no estado sólido do fármaco, assim como sua densidade eletrônica. Estes
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 12/08/2011
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20. Desenvolvimento de um algoritmo para identificação e caracterização de cavidades em regiões específicas de estruturas tridimensionais de proteínas / Development of an algorithm to identify and characterize cavities in specific regions of three-dimensional structures of proteins.
The identification and characterization of geometrical and physical-chemical properties in protein vacant spaces aggregates important information for steering rational drug designing and functional characterization of binding and catalytic sites. Therefore, several softwares have been develop during the past two decades in order to perform such characterizat
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 25/05/2011
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21. Uma metodologia para caracterização do tráfego de redes de computadores: uma aplicação em detecção de anomalias / Methodology for traffic characterization of computer networks: an application in anomaly detection
The methods of intrusion detection based on anomalies model the default behavior of network traffic and identify anomalies as deviations from the behavior model mapped. The modeling of traffic behavior requires the analysis of large datasets to extract knowledge about the particularities of each network environment, considering the services provided, number
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 24/02/2011
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22. Mecanismos intraflagelares de transporte e trânsito de proteínas: uma abordagem pós-genômica e computacional de caracterização da virulência flagelar em Leishmania spp. / Intraflagelares mechanisms of transport and transit proteins: a post-genomics and computational characterization of virulence flagellar Leishmania spp.
Leishmania are flagellated protozoa that cause a main neglected diseasease, collectively known as leishmaniases, posing a constant challenge for the control and prevention of the disease due to the wide-world distribution and prevalence of these parasites. As an insinuating pathogen, Leishmania has a specialized organelle for motility, the flagellum, which i
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 12/01/2011
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23. Statistical modeling of manufacturing uncertainties for microstrip filters
This work presents a technique to characterize the errors that occur in the process of manufacturing into electromagnetic simulations of microwave devices. The procedure combines the unscented transform (UT) with simulations. The use of the UT allows efficient use of computational resources for the characterization of the random variables modeling the uncert
Journal of Microwaves, Optoelectronics and Electromagnetic Applications. Publicado em: 2011-06
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24. Experimental measurements and numerical simulation of permittivity and permeability of Teflon in X band
Abstract Recognizing the importance of an adequate characterization of radar absorbing materials, and consequently their development, the present study aims to contribute for the establishment and validation of experimental determination and numerical simulation of electromagnetic materials complex permittivity and permeability, using a Teflon® sample. The
J. Aerosp. Technol. Manag.. Publicado em: 2011-04