Hydrogen Atom
Mostrando 13-24 de 189 artigos, teses e dissertações.
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13. 2-Bromo-1,4-naphthoquinone: a potentially improved substitute of menadione in Apatone™ therapy
Apatone™, a combination of menadione (2-methyl-1,4-naphthoquinone, VK3) and ascorbic acid (vitamin C, VC) is a new strategy for cancer treatment. Part of its effect on tumor cells is related to the cellular pro-oxidative imbalance provoked by the generation of hydrogen peroxide (H2O2) through naphthoquinone redox cycling. In this study, we attempted to fin
Brazilian Journal of Medical and Biological Research. Publicado em: 2012-08
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14. Estudo químico-quântico de corantes catiônico e aniônicos para aplicação em terapia fotodinâmica / Quantum-chemical study of cationic and anionic dyes applied in photodynamic therapy / Estudo químico-quântico de corantes catiônico e aniônicos para aplicação em terapia fotodinâmica / Quantum-chemical study of cationic and anionic dyes applied in photodynamic therapy
The present work studies the dyes Methylene Blue, Toluidine Blue, Eosin Y, Erytrosin B, Fluorescein and Rose Bengal using quantum-chemical calculations, aiming to propose an appropriate Density Functional Theory-based methodology and to understand the mechanisms of action of those dyes in photodynamic therapy. Structures in singlet and triplet states were op
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 06/04/2011
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15. Sobre a influência da dimensionalidade do espaço no átomo de hidrogênio relativístico / On the influence of the space dimensionality in the relativistic hydrogen aton
Faz-se uma revisão do problema da dimensionalidade do espaço entendido como um problema de Física, enfatizando que algumas leis físicas dependem fortemente deste parâmetro topológico do espaço. Discute-se o que já foi feito tanto no caso da equação de Schrödinger quanto na de Dirac. A situação na literatura é bastante controversa e, no caso esp
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 31/01/2011
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16. Optical and electrical diagnostics of microdischarges at moderate to high pressure in argon
Microdischarges at moderate to high pressure in argon were investigated. A hole opening diameter of 500 µm direct current (dc) microhollow cathode discharges (MHCD) were characterized by electrical measurements and optical emission spectroscopy (OES) for pressures ranging between 90 and 800 Torr and current from 5 to 20 mA. Current-voltage characteristic cu
Brazilian Journal of Physics. Publicado em: 2010-12
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17. Confinamento de partículas quânticas a curvas do espaço
In this work we study dimensional reductions in some quantum systems; such reductions occur due to confinement of the particle from a tube in space to a curve. Our main goal is to find the effective hamiltonian operator that describes the motion of the particle after confinement. We consider three particular situations. (1) In the first situation, we study a
Publicado em: 2010
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18. Comportamento em solução de P(OH)(OEt)2 e P(OH)3 coordenados a tetraaminas de Ru(II) / Behavior in solution of P(OH)(OEt)2 and P(OH)3 coordinated to ruthenium(II) tetraammines
The stability of the ligand diethyl phosphite was analyzed by 1H NMR in solution at pH 1.0 and 3.0 and 25°C in the presence and in the absence of the ion [RuII(H2O)(NH3)5]2+. The hydrolysis of the free diethyl phosphite in solution at pH 3.0 was not observed, while in the presence of the ion [RuII(H2O)(NH3)5]2+, at this same pH, the reaction took place w
Publicado em: 2010
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19. An analytical treatment of the energy spectrum of hydrogen-like atoms perturbed by a generalized van der Waals potential
Hydrogen-like atoms are two-particle systems governed with spherically symmetric potentials, their non-relativistic Schrödinger equations can be solved analytically yielding exact information about their spectra. Vigorous interest in the investigation of their behavior under the influence of external fields has been increased over the years. The main goal o
Brazilian Journal of Physics. Publicado em: 2009-06
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20. Estudo teórico das ligações dihidrogênio com base nos Índices de ligação multicêntricos
The chemical bonds are of extreme relevance to understanding the structure of the matter, thus, in the study of organic and inorganic systems the main instrument chemical is the concept of chemistry bonding. One of the theories more used to describe the chemical bonds is the theory of the Lewis, but, cases more complexes as the multicenter bond, generally mu
Publicado em: 2009
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21. Evaluation of supramolecularity of triazenide complexes mononuclear and binuclear of Ag(I) / Avaliação da Supramolecularidade de complexos triazenidos mononucleares e binucleares de Ag(I)
This work presents the synthesis and the investigation of the crystalline and molecular structure of five new mononuclear or binuclear complexes of Ag(I) with monocatenated triazenido ligands. The mononuclear complexes were synthesized from the binucleares complexes. With the addition stoichiometric of the ligand triphenylphosphine occurs the split of the bi
Publicado em: 2009
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22. MOLECULAR CHARACTERIZATION OF BIOPOLIMERS IN SOLUTION BY COMPUTATIONAL SIMULATION / Caracterização molecular de biopolímeros em solução utilizando simulação computacional
Computer simulation methods were used to characterize the structure and molecular properties of natural and synthetic biopolymers in aqueous solution. The polysaccharides chitin and chitosan, and aliphatic polypeptides were studied. The interest on the chitin and chitosan biopolymers is because of their biodegradability, biocompatibility and potential use as
Publicado em: 2009
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23. Ruthenium(II) nitrosyls as radical scavenger / Nitrosilo complexos de rutênio(II) como captores de radicais de interesse biológico
The complexes trans-[Ru(NO)(NH3)4(L)](X)3 (1), [Ru(NO)(Hedta)] (2) and their synthetic precursors trans-[Ru(H2O)(NH3)4(L)](X)2 (3), trans-[Ru(SO4)(NH3)4(L)](X) (4) , where L = isn, nic, imN, 4-pic, py, P(OEt) e X = PF6 - and BF4 -, were tested as scavengers for the radicals DPPHo, OHo e O2 -o in aqueous media. The redox potential for the metal center in the
Publicado em: 2009
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24. The time-dependent Schrödinger equation: the need for the Hamiltonian to be self-adjoint
We present some simple arguments to show that quantum mechanics operators are required to be self-adjoint. We emphasize that the very definition of a self-adjoint operator includes the prescription of a certain domain of the operator. We then use these concepts to revisit the solutions of the time-dependent Schroedinger equation of some well-known simple pro
Brazilian Journal of Physics. Publicado em: 2008-03