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Measurement and prediction of quantum coherence effects in biological processes
(Royal Society of Chemistry, 2015)
QM/MM modeling of the hydroxylation of the androstenedione substrate catalyzed by cytochrome P450 aromatase (CYP19A1)
(Wiley, 2015-09)
CYP19A1 aromatase is a member of the Cytochrome P450 family of hemeproteins, and is the enzyme responsible for the final step of the androgens conversion into the corresponding estrogens, via a three-step oxidative process. ...
Effect of Pressure-Assisted Heat Treatment on Photoluminescence Emission of α-Bi2O3 Needles
(American Chemical Society, 2015-10)
Materials with high photoluminescence (PL)
intensity can potentially be used in optical and electronic
devices. Although the PL properties of bismuth(III) oxide with a
monoclinic crystal structure (α-Bi2O3) have been ...
A 3D platform for the morphology modulation of materials: first principles calculations on the thermodynamic stability and surface structure of metal oxides: Co3O4, α-Fe2O3, and In2O3
(IOP Publishing, 2016)
Essentially, the exposed crystal planes of a given material, which primarily determine their morphology, tremendously affect its behavior. First principle calculations, based on the Wulff construction model and broken ...
In situ Transmission Electron Microscopy observation of Ag nanocrystal evolution by surfactant free electron-driven synthesis
(Nature Publishing Group, 2016)
The study of the interaction of electron irradiation with matter and the response of the material to the passage of electrons is a very challenging problem. However, the growth mechanism observed during nanostructural ...
Synthesis and optical power limiting properties of heteroleptic Mo3S7 clusters
(Royal Society of Chemistry, 2015)
Substitution of the halide ligands in (Bu4N)2[Mo3S7X6] (X = Cl, Br) by diimine ligands, such as 4,4′-dimethyl-2,2′-bipyridine (dmbpy), 2,2′-bipyridine (bpy) and 1,10-phenanthroline (phen), affords the neutral heteroleptic ...
Increasing the photocatalytic and fungicide activities of Ag3PO4 microcrystals under visible-light irradiation
(Elsevier, 2021-05-03)
The present study reports for the first time the performance of silver phosphate (Ag3PO4) microcrystals as photocatalyst (degradation of Rodamine B-RhB) and antifungal agent (against Candida albicans–C. albicans) under ...
A Combined Experimental and Theoretical Study on the Formation of Ag Filaments on β-Ag 2 MoO 4 Induced by Electron Irradiation
(Wiley-VCH Verlag, 2015)
A combined experimental and theoretical study is presented to understand the novel observed nucleation and early evolution of Ag fi laments on β-Ag 2 MoO 4 crystals, driven by an accelerated electron beam from an electronic ...
Efecto de la fenformina sobre la corrosión electroquímica del hierro
(Instituto Español de Corrosión y Protección, 1991)
Voltammetry provides quick information about the evolution of the iron electrodes subjected to different chemical treatments. Temporarily the dichromate protects it in acid medium whereas the protective action of the ...
Magnetophotoluminescence in GaAs/AlAs core-multishell nanowires: A theoretical investigation
(American Physical Society, 2015)
The magnetophotoluminescence in modulation doped core-multishell nanowires is predicted as a function of
photoexcitation intensity in nonperturbative transverse magnetic fields. We use a self-consistent field approach
within ...