Quantum Theory
Mostrando 1-12 de 318 artigos, teses e dissertações.
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1. 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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2. GRAPHEN-PHENYL-NH2 AS NANOCARRIER: A DENSITY FUNCTIONAL THEORY STUDY
Recently, graphene and modified graphene as one of the most suitable and the most important carbon nanomaterials have been introduced for drug delivery. In this paper, we have studied the binding characteristics of the EDC-NHS cross-linking process of graphene-phenyl-NH2 and 5-aminolevulinic acid (ALA) drug in both gas and solvent phases by density functiona
Química Nova. Publicado em: 2022
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3. REACTION TO ‘LINGUISTIC MEANING MEETS LINGUISTIC FORM IN ACTION’
Abstract The enactivist position adopted by Figueiredo and Cuffari is argued to represent a return to a form of behaviorism which denies that mental content is constitutive of the meaning of linguistic signs in favour of the view that language is first and foremost a physical activity based on shared practices of bodily behaviour. This view is shown to be hi
Manuscrito. Publicado em: 2022
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4. REPLY TO “COULD SIGN-BASED SEMANTICS AND EMBODIED SEMANTICS BENEFIT ONE ANOTHER?”
Abstract Sign-based semantics and embodied semantics are argued to be mutually beneficial to one another. However, while the body does shape our cognitive activities to a great extent, this does not entail that cognition can be reduced to sensorimotor simulation, i.e that the mind can be reduced to the body. Language itself bears testimony to this, as the mi
Manuscrito. Publicado em: 2022
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5. 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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6. In silico Evaluation of Cucurbit[6]uril as a Potential Detector for Cocaine and Its Adulterants Lidocaine, Caffeine, and Procaine
Illicit drugs and their trafficking require worldwide efforts in investigation, detection, and control. Colorimetric tests are often applied to identify drugs. Cocaine has some well-known adulterants that can provide a false positive response. Cucurbit[6]uril (CB[6]) has been suggested as a potential detector for cocaine and other illicit drugs. This work us
J. Braz. Chem. Soc.. Publicado em: 2021-04
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7. Synthesis, Spectroscopic Characterization, DFT Calculations and Preliminary Antifungal Activity of New Piperine Derivatives
Four new piperine derivatives, PC1-PC4, were synthesized, and their structures were fully characterized by infrared (IR) and 1H and 13C nuclear magnetic resonance (NMR) spectroscopies. Quantum chemical calculations were performed using density functional theory (DFT) with the B3LYP-D3/6-31G(d,p) and 6-311+G(2d,p) basis sets. Electronic properties, such as th
J. Braz. Chem. Soc.. Publicado em: 2021-03
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8. 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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9. Aplicação do Formalismo CTP em uma Ação com Operador Pseudo-Diferencial
Resumo O formalismo CTP (closed-time-path) é uma ferramenta matemática para calcular funções de Green em sistemas físicos. A principal vantagem desta técnica é a de que, ao contrário do formalismo de Feynman, o formalismo CTP pode ser aplicado em sistemas fora do equilíbrio. Por outro lado, em física da matéria condensada, alguns modelos não loca
Rev. Bras. Ensino Fís.. Publicado em: 25/11/2019
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10. The HBT effect: Trading zones in twentieth century physics
Abstract In 1956, Robert Hanbury Brown and Richard Twiss (HBT) reached an unexpected experimental result that caused a heated debate in the physics community. Contrary to Einstein's quantum of light, they asserted that they had separately detected two photons at the same time. As one may imagine, other physicists challenged this experimental result, noting t
Rev. Bras. Ensino Fís.. Publicado em: 29/08/2019
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11. A busca por violações da simetria de Lorentz: testando os princípios da relatividade restrita na escala de Planck
Resumo A relatividade restrita, proposta por Einstein no começo do século XX, veio a se tornar um dos pilares da física. Contudo, uma das lições que aprendemos com ela é que teorias físicas geralmente tem seu domínio de validade: uma teoria de grande sucesso em descrever certos fenômenos pode simplesmente deixar de valer se extrapolada para um novo
Rev. Bras. Ensino Fís.. Publicado em: 01/07/2019
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12. O Experimento de Hardy: a mais simples prova da violação do realismo local EPR
Resumo O Experimento de Hardy constitui um tipo de experimento físico pelo qual podemos demonstrar e verificar a validade experimental do Teorema de Bell, o qual afirma que a Mecânica Quântica não é uma teoria física realista local. Aqui, revisitamos a reformulação dada por N.D. Mermin em 1994 da proposta original de L. Hardy apresentada em 1992, def
Rev. Bras. Ensino Fís.. Publicado em: 13/06/2019