Planarity
Mostrando 1-12 de 34 artigos, teses e dissertações.
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1. Heterostructured Langmuir-Blodgett Films of Ruthenium Bipyridine with 1,3,4-Naphthooxadiazole-Derived Amphiphile Complex as a Charge Storage Electrode
The molecular control in Langmuir-Blodgett (LB) films may be exploited in charge storage electrodes provided a suitable choice of molecular architecture and components is made. In this paper, we employed a naphtyl-1,3,4-oxadiazole amphiphile (NFT1) and its complex [Ru(bpy)2NFT1]PF6 (RuNFT1) (bpy = 2,2’-bipyridine) in heterostructured LB films in a proof-of
J. Braz. Chem. Soc.. Publicado em: 2020-11
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2. UNRAVELING THE SOLVATOCHROMISM OF A TRIARYLMETHANE DYE BY RESONANCE RAMAN SPECTROSCOPY
The effect of the solvent on the electronic properties of the triarylmethane dye rosolic acid (RA) is investigated by means of UV-VIS and resonance Raman (RR) spectroscopies. The comparison of the solvatochromic behavior of both neutral and dianionic species of RA in acetonitrile, dimethylsulfoxide, and methanol illustrates the effect of polarity and hydroge
Quím. Nova. Publicado em: 05/12/2019
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3. The Influence of Methoxy and Ethoxy Groups on Supramolecular Arrangement of Two Methoxy-chalcones
The structures of two methoxylated chalcones, namely (E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and (E)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one, reveal the effect of the inclusion of the methoxyl and ethoxyl substituents of the conformation on methoxy-chalcone. Structural comparative study between two chalcones was done i
J. Braz. Chem. Soc.. Publicado em: 2017-11
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4. HIGH PRESSURE BEHAVIOR OF CRYSTALLINE DIHYDROXYLAMMONIUM 5,5'-BISTETRAZOLE-1,1'-DIOLATE: FIRST-PRINCIPLES STUDY
Density functional theory (DFT) periodic calculations were performed to study the geometrical and electronic structures of energetic compound dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50) under the pressure ranging from 0 to 400 GPa. The optimized crystal structure by the local density approximation (LDA) with CA-PZ functional matches well with
Quím. Nova. Publicado em: 2017-10
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5. THE SYMMETRY BREAKING PHENOMENON IN 1,2,3-TRIOXOLENE AND C2Y3Z2 (Z= O, S, Se, Te, Z= H, F) COMPOUNDS: A PSEUDO JAHN-TELLER ORIGIN STUDY
1,2,3-Trioxolene (C2O3H2) is an intermediate in the acetylene ozonolysis reaction which is called primary ozonide intermediate. The symmetry breaking phenomenon were studied in C2O3H2 and six its derivatives then oxygen atoms of the molecule are substituted by sulphur, selenium, tellurium (C2Y3H2) and hydrogen ligands are replaced with fluorine atoms (C2Y3F2
Quím. Nova. Publicado em: 2017-06
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6. Conformational Variability in Sulfonamide Chalcone Hybrids: Crystal Structure and Cytotoxicity
Four sulfonamide-chalcone derivatives were prepared and their crystal structure were elucidated by single-crystal X-ray diffraction technique. They were synthesized by Claisen-Schmidt condensation reaction between N-(4-acetylphenyl)benzenesulfonamide or N-(4-acetylphenyl)-2,5-dichlorobenzenesulfonamide with benzaldehyde or p-nitrobenzaldehyde. Values of Z' >
J. Braz. Chem. Soc.. Publicado em: 2016-05
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7. A THEORETICAL EVALUATION OF ELECTROCONDUCTIVE PROPERTIES FOR [1,2,4]-TRIAZOLE 4N-SUBSTITUTED POLYMERS
In order to evaluate a set of electrical and optical properties by using time-dependent density functional theory (TD-DFT), at level of theory B3LYP/6-31G(d), the 4N-substituted [1,2,4]-Triazole (TAZ) oligomers and substituted derivatives were studied using cyano, amino, methyl and fluoro functional groups. Additionally, specific properties were theoretic
Quím. Nova. Publicado em: 2015-06
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8. Representações retangulares de grafos planares / Rectangular representations of plane graphs
Uma representação retangular de um grafo plano G é uma representação de G, onde cada vértice é desenhado como um retângulo de modo que dois retângulos devem compartilhar algum segmento de seus lados se e somente se existe uma aresta em G entre os vértices correspondentes aos retângulos. Ainda, a representação de G deve formar um retângulo e nã
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 04/04/2012
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9. Mecanismos reacionais e os processos de carga e descarga no caso de eletrodos planos de Pb em ácido sulfúrico e formação de eletrodos planos de PbO2 partindo de eletrodos de Pb
Two systems that form the basis of the lead-acid batteries were studied. The first system was the lead/sulfuric acid (Pb/H2SO4) interface. This interface is equivalent to negative electrode of lead acid batteries. The second system was the lead oxide/sulfuric acid (PbO2/H2SO4) interface. This interface is equivalente to the positive electrode of lead acid ba
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 04/10/2007
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10. Propriedades fotoquímicas e fotofísicas de novos materiais derivados quinolinas e di naftalimidas / Photochemistry and photophysical properties of new materials derivatives of quinolines and Di-naphtalimides
Excited state proto transfer reactions in aqueous media is among current themes in photochemistry research. Shortly, organic molecules having acid or basic groups and presenting excited state lifetimes long enough, competitive prototropic reactions can occur. This phenomenon is attributed to an isoelectronic state of the ground state molecule and up to seven
Publicado em: 2007
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11. SYNTHESIS AND CRYSTALCHEMISTRY OF 1-(4-CARBOXYPHENYL)-3-(4-ACETYLAMIDOPHENYL)TRIAZENE AND COMPLEXES OF COPPER(I), SILVER(I) AND GOLD(I) WITH 1-(4-ETHOXYCARBONYLPHENYL)-3-(4-NITROPHENYL)TRIAZENIDE LIGAND / SÍNTESE E CRISTALOQUÍMICA DO 1-(4-CARBOXIFENIL)-3-(4-ACETILAMIDOFENIL)TRIAZENO E COMPLEXOS DE COBRE(I), PRATA(I) E OURO(I) COM O LIGANTE 1-(4-NITROFENIL)-3-(4-ETOXICARBOXIFENIL)TRIAZENIDO
This work deals with the determination of the single crystal structure analysis of four triazenido complexes including gold(I), copper(I), silver(I), and the crystal structure of a free triazene molecule. Crystal data and refinement indices of 1-(4-carboxyphenyl)-3-(4- acetylamidophenyl)triazene (1) are: monoclinic system, space group P21/n, cell parameters
Publicado em: 2007
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12. Directed hypergraph planarity
Hipergrafos direcionados são generalizações de digrafos, e são utilizados na modelagem de relações binárias entre subconjuntos de um dado conjunto. O problema da planaridade em hipergrafos foi estudado por Johnson e Pollak; neste trabalho estendemos o conceito de planaridade para hipergrafos direcionados. É noção conhecida que a planaridade de hipe
Pesquisa Operacional. Publicado em: 2005-12