Electronic Structure
Mostrando 13-24 de 553 artigos, teses e dissertações.
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13. Ações do programa de puerpério na atenção primária: uma revisão integrativa
Resumo O puerpério trata-se de um período de significativa morbimortalidade para as mulheres, e a Atenção Primária à saúde (APS) é importante no desenvolvimento de ações para atender as necessidades de saúde das mulheres. Objetivou-se sistematizar o conhecimento produzido sobre as ações de programas de atenção pós-parto no âmbito da APS, tan
Ciênc. saúde coletiva. Publicado em: 28/10/2019
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14. ESTUDO ELETRÔNICO DA REATIVIDADE DA 8-HIDROXIQUINOLINA SUBSTITUÍDA FRENTE AO SÍTIO DE LIGAÇÃO DO PEPTÍDEO β-AMILOIDE AO ÍON ZINCO
In this work, density functional theory (DFT) was used to study the caused effect on reactivity of 8-hydroxyquinoline (8-HQ) by substituent groups (-H, -CH3, -OCH3, -Cl and -NO2) on different positions of the 8-HQ structure. DFT was also used to obtain the electronic profile of β-amyloid peptide (Aβ) bind site to Zinc. The energies and absolute hardness (�
Quím. Nova. Publicado em: 21/10/2019
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15. Effectiveness of day care in supporting family caregivers of people with dementia: A systematic review
RESUMO O centro-dia (CD) permite uma pausa no cuidado diário como estratégia de apoio aos cuidadores familiares (CF) das pessoas com demência (PcD). Objetivo: analisar as estratégias de suporte aos CF oferecidas pelos CD, seus modelos metodológicos e teóricos, bem como os respectivos benefícios sobre sua sobrecarga, estratégias de enfrentamento e qu
Dement. neuropsychol.. Publicado em: 23/09/2019
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16. Factors associated with multimorbidity in the elderly: an integrative literature review
Resumo Objetivo: Objetivou-se identificar os fatores associados à multimorbidade em idosos por meio de uma revisão integrativa da literatura. Método: Foram utilizadas as bases de dados “Cochrane Library”, “MEDLINE”, “Web of Science”, “Scopus” e “LILACS”. Também foram utilizados a biblioteca virtual “Scielo” e o buscador eletrôn
Rev. bras. geriatr. gerontol.. Publicado em: 10/06/2019
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17. Linking gemology and spectral geology: a case study of elbaites from Seridó Pegmatite Province, Northeastern Brazil
Abstract reflectance spectroscopy is a fast tool for mineral identification and classification. We conducted spectral characterization of elbaite samples (n = 30) from Seridó Pegmatite Province, Borborema Province, NE Brazil, using a FieldSpec portable instrument and geochemical data from electron probe microanalysis. Visual interpretation of reflectance sp
Braz. J. Geol.. Publicado em: 13/05/2019
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18. Characterization of the Ge/Bi2O3 Interfaces
In this article, the properties of the Ge/Bi2O3 interfaces as microwave cavities are reported and discussed. The interface is composed of monoclinic Bi2O3 films grown onto polycrystalline cubic Ge substrate. It is observed that consistent with the theoretical design of the energy band diagram, the experimental current-voltage characteristics of the Yb/Ge/Bi2
Mat. Res.. Publicado em: 04/04/2019
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19. New Synthesis Method for a Core-Shell Composite Based on α-Bi2O3 @PPy and its Electrochemical Behavior as Supercapacitor Electrode
New composite based on polypyrrole (PPy) and bismuth oxide (α-Bi2O3) was investigated as supercapacitor electrode. The α-Bi2O3 was obtained by hydrothermal route at 500 ºC for 2 h. Cyclic voltammetry was used to electropolymerize PPy on graphite electrode (GE) or on GE/α-Bi2O3. The X-ray diffraction profile of Bi2O3 revealed the α-Bi2O3 monoclinic struc
J. Braz. Chem. Soc.. Publicado em: 2019-04
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20. O CONCEITO DE VALÊNCIA EM LIVROS DIDÁTICOS DE QUÍMICA GERAL ENTRE AS DÉCADAS DE 1890 E 1940
This paper aims to investigate the presentation of the concept of valence in college-level, general chemistry textbooks published in the USA between the 1890s and the 1940s. The delimited period covers the emergence of theories about atomic structure, electronic distribution and chemical bonding. Transition from the classical concept of valence (as the combi
Quím. Nova. Publicado em: 2019-02
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21. SYNTHESIS, ELECTRONIC AND SPECTRAL PROPERTIES OF NEW 1,3,4-THIADIAZOLE COMPOUNDS AND THE SPECTRAL ANALYSIS OF THEIR CONFORMERS USING DENSITY FUNCTIONAL THEORY
In this study, new 1,3,4-thiadiazole compounds were synthesised and characterised by FT-IR, 1H-NMR, UV-vis spectroscopy and elemental analysis, Furthermore, the relationship between the electronic and spectral data of the 16 conformers of each compound was investigated by theoretical calculations; the theoretical data were compared with the experimental resu
Quím. Nova. Publicado em: 2019-02
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22. ENTRE TIPOS E RADICAIS: A CONSTRUÇÃO DO CONCEITO DE VALÊNCIA
This paper presents a historical case study regarding the development of the concept of valence in late nineteenth and early twentieth centuries. The case study focuses on Edward Frankland’s contribution to the process which lead to the convergence of two theories about the combination of the elements: the theory of types and the theory of radicals. Result
Quím. Nova. Publicado em: 2019-01
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23. Effect of sawdust as porosity agent on final properties of geopolymers
Abstract The geopolymers synthesis are based on geopolymerization, a sequence of reactions processed in an alkaline medium through oligomers providing a three-dimensional molecular structure. In this work, the polycondensation of metakaolin was performed with alkaline activators (NaOH and sodium silicate), wood sawdust and other additives. Two different comp
Cerâmica. Publicado em: 2019-01
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24. THEORETICAL STUDIES ON TRIACETONETRIPEROXIDE (TATP) DERIVATIVES TO IMPROVE THEIR PERFORMANCE
Density functional theory (DFT) methods are used to study on TATP derivatives at DFT-B3LYP/6-311++G (d, p) level to improve TATP’s performance. The derivatives are 3,6,9-trimethyl-3,6,9-tris(trifluoromethyl)-1,2,4,5,7,8-hexaoxonane (TATP3F), 3,6,9-trimethyl-3,6,9-tris(nitromethyl)-1,2,4,5,7,8-hexaoxonane (TATPNO2) and (3,6,9-trimethyl-1,2,4,5,7,8-hexaoxona
Quím. Nova. Publicado em: 2019-01