Interaction Theory
Mostrando 1-12 de 625 artigos, teses e dissertações.
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1. VIBRATION CHARACTERISTICS, CHEMICAL BONDS AND WEAK INTERACTIONS OF 4- AND 5-HYDROXYSALICYLIC ACID INVESTIGATED BY TERAHERTZ SPECTROSCOPY AND DENSITY FUNCTIONAL THEORY
The terahertz (THz) absorption spectra of 4- and 5-hydroxysalicylic acid were measured by terahertz time-domain spectroscopy (THz-TDS) in the range of 0.4-2.8 THz. The unit cells of both were calculated by density functional theory (DFT), and the theoretical simulation and experimental data were basically in agreement. To further interpret the origin of the
Química Nova. Publicado em: 2022
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2. Synthesis and Molecular Modeling Study of Two Bromo-Dimethoxybenzaldehydes
This work describes the synthesis, molecular structure, and packaging of the compounds 6-bromo-2,3-dimethoxybenzaldehyde (6-BRB) and 5-bromo-2,3-dimethoxybenzaldehyde (5 BRB). Characterization in the solid-state was carried out by X-ray diffraction, and the analysis of the interactions was described by the Hirshfeld surface, which helps in understanding the
Journal of the Brazilian Chemical Society. Publicado em: 2022
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3. Through-Bond and Through-Space Interactions in [2,2]Cyclophanes
The interpretation of the distortions of the electron distribution in [2,2]cyclophanes (22-CPs) is controversial. Some studies indicate that there is an accumulation of electron density (ρ) outside the cavity of 22-CPs. The nature of through-space (ts) interaction is still under debate. The relative importance of ts and through-bond (tb) is an open question
J. Braz. Chem. Soc.. Publicado em: 2021-07
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4. Narcissism, risk and uncertainties: analysis in the light of prospect and fuzzy-trace theories
Abstract Purpose This study aims to analyze the relationship between the nonpathological traits of narcissism and decisions under conditions of uncertainty and risk in light of the prospect (PT) and fuzzy-trace theories (FTT). Design/methodology/approach This paper conducted an empirical-theoretical study with 210 Brazilian academics from the business area
RAUSP Manag. J.. Publicado em: 2021-03
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5. GALILEO’S PENDULUM AS A MAGNETIC BALANCE FOR STUDYING CHEMICAL MAGNETISM AT HOME
A very simple, but rich experiment, encompassing a classical Galileo’s pendulum, has been devised to be performed at home, especially during the Covid-19 pandemics. The experiment uses a miniature supermagnet rod as the pendulum oscillating element suspended from a fixed sewing thread. Its physics can be fully investigated, allowing to study the oscillatio
Quím. Nova. Publicado em: 2021-01
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6. SOCIOLOGIA SAGRADA
Benzbromarone (BZB) is a drug that has diuretic activity and is used in the gout treatment. Its therapeutic efficiency is decreased by its low water solubility (11.8 mg L-1) and highly hydrophobic aspect (logP 2.7), which are responsible for affecting its intestinal absorption and bioavailability. BZB inclusion complex (IC) aims at increasing the drug solubi
Sociol. Antropol.. Publicado em: 2020-08
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7. Preparation and Characterization of the β-Cyclodextrin Inclusion Complex with Benzbromarone
Benzbromarone (BZB) is a drug that has diuretic activity and is used in the gout treatment. Its therapeutic efficiency is decreased by its low water solubility (11.8 mg L-1) and highly hydrophobic aspect (logP 2.7), which are responsible for affecting its intestinal absorption and bioavailability. BZB inclusion complex (IC) aims at increasing the drug solubi
J. Braz. Chem. Soc.. Publicado em: 2020-08
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8. Understanding Solvent/Bixin Interactions by Raman Spectroscopy
In this work, Raman spectroscopy and density functional theory (DFT) calculations have been used in order to understand the nature of the interaction between the carotenoid bixin and organic solvents with dielectric constant varying from ca. 2 (toluene) to ca. 47 (dimethyl sulfoxide). Raman shifts registered for the main carotenoid marker band, the C=C stret
J. Braz. Chem. Soc.. Publicado em: 2020-07
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9. Crystal Structure and 1H NMR Experimental and Theoretical Study of Conformers of 5-Methyl-1-(4’-methylphenylsulfonylamino)-1H-[1,2,3]-triazole-4-carboxylic Acid Ethyl Ester and 5-Methyl-1-(phenylsulfonylamino)-1H-[1,2,3]-triazole-4-carboxylic Acid Ethyl Ester
We reported experimental and theoretical investigation of conformers of 1,2,3-triazole derivatives, substances of exclusively synthetic origin, subject of extensive studies, because of several biological properties, such as antiviral, antimicrobial and antileishmaniasis. We reported molecular/supramolecular X-ray structures of antiophidian compounds I and II
J. Braz. Chem. Soc.. Publicado em: 2020-05
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10. Efeitos do vento solar na magnetosfera terrestre: uma abordagem didática dos cinturões de Van Allen
Resumo Neste trabalho realizamos uma abordagem didática de aspectos relacionados ao geomagnetismo e como esses aspectos podem ser influenciados pela ação do vento solar. A carência de textos didáticos que promovam explicações em termos de conceitos de física básica foi a principal motivação para esse trabalho. Iniciamos com uma discussão históri
Rev. Bras. Ensino Fís.. Publicado em: 20/01/2020
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11. Self-care deficits in women with leg ulcers and sickle cell disease
RESUMO Objetivo: identificar os déficits de autocuidado em mulheres com úlceras de perna e doença falciforme. Método: abordagem qualitativa, descritiva, exploratória com 14 mulheres. A coleta foi realizada em dezembro de 2015 a janeiro de 2016, enquanto a análise foi sustentada pela Teoria Geral do Déficit de Autocuidado de Orem. Resultados: os req
Rev. Bras. Enferm.. Publicado em: 13/12/2019
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12. A Teoria da Atividade na Produção de Material Didático Digital Interativo de Matemática
Resumo Neste artigo discutimos o modo como a linguagem matemática formal, as tecnologias digitais, a internet, os ambientes virtuais de aprendizagem e a interação entre participantes de cursos a distância podem influenciar e transformar a produção de conhecimento em cursos a distância. Consideramos a pesquisa que deu origem a este artigo como um estud
Bolema. Publicado em: 02/12/2019