Transition States
Mostrando 1-12 de 462 artigos, teses e dissertações.
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1. 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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2. Saúde, lazer e envelhecimento: uma análise sobre a brincadeira de dança de roda das Meninas de Sinhá
O grupo artístico Meninas de Sinhá teve como princípio um encontro de mulheres idosas em situação de vulnerabilidade que utilizam a brincadeira da dança de roda como uma potência curativa, capaz de torná-las mais saudáveis. Investigamos a atribuição de sentidos pelo grupo, no campo da saúde e do lazer, ao longo de sua formação estabelecida nos
Interface (Botucatu). Publicado em: 17/01/2020
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3. USO DA TEORIA DO FUNCIONAL DE DENSIDADE NA ANÁLISE DE SPIN CROSSOVER EM AULAS DE QUÍMICA INORGÂNICA
Spin crossover is a property found in some coordination compounds formed by the first series of transition metals with d4-d7 configuration. These complexes, when stimulated by an external factor (temperature, light, etc.), can be converted from their low spin states to high spin states, or vice versa. However, this issue is not addressed in the Inorganic Che
Quím. Nova. Publicado em: 2020-01
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4. Distribution of rainfall probability in the Tapajos River Basin, Amazonia, Brazil
Resumo Estudos sobre a probabilidade de chuvas e suas variações espaço-temporais são importantes para o planejamento de recursos hídricos e otimização do calendário de atividades agrícolas. O presente estudo identifica a ocorrência de chuvas pela cadeia de Markov de primeira ordem (CM) e por dois estados da bacia hidrográfica do rio Tapajós (BHRT
Rev. Ambient. Água. Publicado em: 03/06/2019
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5. Newborn Screening Quality Assurance Program for CFTR Mutation Detection and Gene Sequencing to Identify Cystic Fibrosis
Abstract All newborn screening laboratories in the United States and many worldwide screen for cystic fibrosis. Most laboratories use a second-tier genotyping assay to identify a panel of mutations in the CF transmembrane regulator (CFTR) gene. Centers for Disease Control and Prevention’s Newborn Screening Quality Assurance Program houses a dried blood spo
J. inborn errors metab. screen.. Publicado em: 30/05/2019
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6. HIGH-ORDER MULTIVARIATE MARKOV CHAIN APPLIED IN DOW JONES AND IBOVESPA INDEXES
ABSTRACT In this paper we analyzed the probabilities of transitions of state between Ibovespa and Dow Jones indexes using High-order Multivariate Markov Chain. While the stock market may be profitable, the existence of risks can lead to large losses. A mathematical model capable of considering different sources can aid in decision making. This model can work
Pesqui. Oper.. Publicado em: 09/05/2019
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7. Evaluación de caminos de difusión de Al en UAl4
ABSTRACT Once the stable structure of point defects and concentrations of defects in thermal equilibrium were obtained for each composition of Al of the compound UAl4, we identified, in this work, the more likely mechanisms for Al mobility in UAl4, and we analyzed transition states in the diffusion of Al in UAl4 by the Nudged Elastic Band (NEB) method implem
Matéria (Rio J.). Publicado em: 19/07/2018
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8. Frozen-to-jamming-to-fluid Transition of Weakly Sheared Granular Systems by Low-frequency Mechanical Spectroscopy
Granular matter usually displays frozen, jamming and fluidized states when submitted to an external vibration with increasing intensity. The dissipation properties of granular systems with three different millimeter-size glass grains (0.1, 0.5 and 1.9 mm) have been investigated by a modified low-frequency inverted torsion pendulum under a shear strain and an
Mat. Res.. Publicado em: 10/07/2018
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9. Manipulation of Glassy State in Amorphous Selenium by Low-temperature Internal Friction Measurements
We have studied the thickness and quench-rate dependent internal friction of amorphous selenium (a-Se) thin films deposited at room temperature. The internal friction of a-Se films exhibit a temperature independent plateau below 1 K followed by a broad maximum at 10 K. The plateau, which is seen in almost all amorphous solids, is caused by dissipation by two
Mat. Res.. Publicado em: 07/06/2018
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10. Anophelines species and the receptivity and vulnerability to malaria transmission in the Pantanal wetlands, Central Brazil
BACKGROUND Studies on malaria vectors in the Pantanal biome, Central Brazil, were conducted more than half a century ago. OBJECTIVES To update anopheline records and assess receptivity and vulnerability to malaria transmission. METHODS Five-day anopheline collections were conducted bimonthly in Salobra, Mato Grosso do Sul state, for one year. Indoors, mos
Mem. Inst. Oswaldo Cruz. Publicado em: 2018-02
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11. 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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12. The establishment of the time interval between inspections for a cold standby system with component repair
Abstract The time interval between inspections of cold standby systems is a crucial decision to ensure the appropriated system reliability and the lowest costs possible. This paper presents a model developed to establish the optimal time interval between inspections for a two-unit cold standby system with component repair and subject to periodic inspection,
Prod.. Publicado em: 31/08/2017