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Chemical reactivity of oxygen vacancies on the MgO surface: Reactions with CO2, NO2 and metals
(ELSEVIER, 2008-06)
Density functional theory was used to investigate the chemical reactivity of oxygen vacancies on the MgO surface towards CO2, NO2 and metal atoms. The oxygen vacancies induce changes in the electronic structure of the MgO ...
Influência da carbonatação no comportamento de ligante ternário com cinza volante e MgO reativo para produção de compósito leve
(Universidade do Vale do Rio dos Sinos, 2021-08-18)
The search for reductions in CO2 emissions is a recurrent theme in the development of construction materials, given the significant contribution of the cement industry to the production of greenhouse gases. Improvements ...
Influência da carbonatação no comportamento de ligante ternário com cinza volante e MgO reativo para produção de compósito leve
(Universidade do Vale do Rio dos Sinos, 2021-08-18)
The search for reductions in CO2 emissions is a recurrent theme in the development of construction materials, given the significant contribution of the cement industry to the production of greenhouse gases. Improvements ...
Methanol adsorption on magnesium oxide surface with defects: A DFT study
(Elsevier Science, 2003-03)
The methanol adsorption on several defects of the magnesium oxide surface were studied. Structural and electronic study with geometrical optimization and natural bond orbital (NBO) analysis were performed using a density ...
O efeito do uso crônico de haloperidol associado à dieta com alto teor de lipídio na peroxidação lipídica no fígado de ratos wistar
(Universidade Federal de Santa MariaBRBioquímicaUFSMPrograma de Pós-Graduação em Ciências Biológicas: Bioquímica Toxicológica, 2007-01-12)
There is a growing number of evidences, associating the oxidative stress produced by the reactive species of oxygen, with the aging process at one hand, and with the beginning and development of the vascular complications ...
Density functional theory characterization of the formation of copper clusters on Fs and Fs+ centers on a MgO surface
(2007)
Electronic structure and chemical reactivity of Cun clusters (n = 1-4) supported on a regular site (O5c) and on an oxygen vacancy (Fs and Fs+) of the MgO (1 0 0) surface were investigated using density functional theory. ...
CALCIUM-DEPENDENT MITOCHONDRIAL OXIDATIVE DAMAGE PROMOTED BY 5-AMINOLEVULINIC ACID
(Elsevier Science BvAmsterdamHolanda, 1992)