Electronic Spectra
Mostrando 1-12 de 196 artigos, teses e dissertações.
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1. DESENVOLVIMENTO DE ACESSÓRIO PORTÁTIL DE CONTROLE DE TEMPERATURA PARA MEDIDAS ESPECTROSCÓPICAS
Temperature is a natural phenomenon that may modify the structure of chemical compounds and hence their properties. We aimed to develop a simple portable system based on the Peltier principle for spectral characterization of compounds with temperature-dependent structure. The device was constructed and adapted to three pieces of equipment: X-ray diffractomet
Química Nova. Publicado em: 2022
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2. Lysosomal acid lipase deficiency in pediatric patients: a scoping review
Abstract Objective: Lysosomal acid lipase deficiency (LAL-D) is an underdiagnosed autosomal recessive disease with onset between the first years of life and adulthood. Early diagnosis is crucial for effective therapy and long-term survival. The objective of this article is to recognize warning signs among the clinical and laboratory characteristics of LAL-D
Jornal de Pediatria. Publicado em: 2022
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3. Where’s the Spin? A DFT Study of Mixed-Valence Cyanide-Bridged Ruthenium Polypyridines
This article discusses the use of density functional theory (DFT) calculations in classifying and characterizing bimetallic ruthenium mixed-valence systems in terms of their electronic localization/delocalization degree. A standard B3LYP/LanL2DZ methodology including integral equation formalism-polarizable continuum model (IEF-PCM) solvent model is evaluated
J. Braz. Chem. Soc.. Publicado em: 2020-11
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4. Mackie B. Corra para ser feliz: como a corrida salvou minha vida. Rio de Janeiro: Harper Collins; 2019.
This article discusses the use of density functional theory (DFT) calculations in classifying and characterizing bimetallic ruthenium mixed-valence systems in terms of their electronic localization/delocalization degree. A standard B3LYP/LanL2DZ methodology including integral equation formalism-polarizable continuum model (IEF-PCM) solvent model is evaluated
Ciênc. saúde coletiva. Publicado em: 2020-11
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5. TD-DFT Analysis of the Dissymmetry Factor in Camphor
The fact that the dissymmetry lgeb (g-factor) of camphor is large has been known for decades, and the interpretation of the observed data has also been known for a long time. However, due to the ability of quantum chemical methods to describe chiroptical phenomena more appropriately, additional approaches based on these methods have been successful employed.
J. Braz. Chem. Soc.. Publicado em: 2020-03
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6. INTERAÇÕES COMPETITIVAS DE COMPLEXOS DE RUTÊNIO CONTENDO DIMETILSULFÓXIDO E LIGANTES N-HETEROCÍCLICOS COM ALBUMINA DE SORO HUMANO
Two ruthenium complexes of the type [RuCl(dmso)(L)2]Cl {L = 4,4’-dimethyl-2,2’-bipyridine (dmbpy); 4,4’-dinonyl-2,2’-bipyridine (dnbpy)} have been synthesized and characterized by elemental analysis, 1H NMR, FTIR, electronic spectra, and molar conductivity. The IR spectral studies revealed that the DMSO molecule is S-bound ( νSO= 1100 cm-1; 1079 cm-
Quím. Nova. Publicado em: 2020-03
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7. UM CONJUNTO DE PLANILHAS ELETRÔNICAS PARA IDENTIFICAÇÃO E QUANTIFICAÇÃO DE CONSTITUINTES DE ÓLEOS ESSENCIAIS
The identification of essential oils constituents has been made easier and faster by the use of automatic software search engines that compare the experimental mass spectra and calculate the retention indices with those in commercial databases. However, these search engines and databases are very expensive. Electronic sheets have been assembled in a set of l
Quím. Nova. Publicado em: 2020-01
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8. RAMAN STUDIES OF BIS(PHENYLTERPYRAZINE)IRON(II) AND SUPRAMOLECULAR SPECIES WITH PENTACYANIDOFERRATE(II) IONS
The chemistry and spectroscopy of the iron(II) phenylterpyrazine complex, [Fe(phtpz)2]2+, were investigated in comparison with the analogous phenylterpyridine species, Fe(phtpy)2]2+, and the results indicated a strong electronic delocalization on the Fe(II) terimine chromophore encompassing the lateral pyrazyl groups. The delocalized nature of the molecular
Quím. Nova. Publicado em: 05/12/2019
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9. 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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10. Espectroscopia óptica de baixo custo: uma estratégia para a introdução de conceitos de física quântica no ensino médio
Resumo Neste artigo, reportamos a confecção e discutimos a aplicabilidade de um espectrômetro óptico de baixo custo como recurso didático para a introdução de conceitos de Física Quântica no ensino médio. O protótipo foi desenvolvido usando grade de difração comercial, lentes convergentes (lupas), webcam e o software Tracker para extração dos
Rev. Bras. Ensino Fís.. Publicado em: 29/04/2019
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11. 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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12. ELUCIDAÇÃO DA QUIRALIDADE INDUZIDA NA MOLÉCULA DANSILGLICINA NA COMPLEXAÇÃO COM A PROTEÍNA ALBUMINA DO SORO HUMANO (HSA)
Human serum albumin (HSA) plays an important role in the transport of a wide variety of substances, including compounds with pharmacological properties. The dansylglycine (DanG) is a fluorescent amino acid derivative specific for the site II of HSA. This work aimed to elucidate the induction of chirality in the DanG due to its bonding to the HSA. Theoretical
Quím. Nova. Publicado em: 2019-02