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Isostructural Second-Order Phase Transition of β-Bi2O3 at High Pressures: An Experimental and Theoretical Study
(American Chemical Society, 2014-09)
We report a joint experimental and theoretical study of the structural and vibrational properties of synthetic sphaerobismoite (β-Bi2O3) at high pressures in which room-temperature angle-dispersive X-ray diffraction (XRD) ...
Following the Molecular Mechanism for the NH3 + LiH → LiNH2 + H2 Chemical Reaction: A Study Based on the Joint Use of the Quantum Theory of Atoms in Molecules (QTAIM) and Noncovalent Interaction (NCI) Index
(American Chemical Society, 2014-02)
The molecular mechanism for the NH3 + LiH → LiNH2 + H2 reaction has been elucidated by the combined use of quantum theory of atoms in molecules (QTAIM) and noncovalent interactions (NCI) index. The topology of the electron ...
Potentiated Electron Transference in a-Ag2WO4 Microcrystals with Ag Nanofilaments as Microbial Agent
(American Chemical Society, 2014-02)
This study is a framework proposal for understanding the antimicrobacterial effect of both α-Ag2WO4 microcrystals (AWO) synthesized using a microwave hydrothermal (MH) method and α-Ag2WO4 microcrystals with Ag metallic ...
Insight into the Effects of Fe Addition on the Local Structure and Electronic Properties of SrTiO3
(American Chemical Society, 2014-01)
This paper reports an experimental and theoretical investigation of the effects of adding Fe to the perovskite strontium titanate SrTiO3. The effects include changes in the short-order range structure as well as in the ...
Convergence of Theory and Experiment on the Role of Preorganization, Quantum Tunneling, and Enzyme Motions into Flavoenzyme-Catalyzed Hydride Transfer
(American Chemical Society, 2017)
Hydride transfer is one of the most common reactions catalyzed by enzymatic systems, and it has become an object of study because of possible significant quantum tunneling effects. In the present work, we provide a combination ...
Heteroleptic Phenanthroline Complexes of Trinuclear Molybdenum Clusters with Luminescent Properties
(Wiley, 2015)
Neutral Mo3(μ3-S)(μ-S2)3X3(diimine) (X = Cl–, Br–) heteroleptic cluster complexes containing the 1,10-phenanthroline ligands 1H-imidazo[4,5-f][1,10]phenanthroline-2-[3,4-bis(dodecyloxy)phenyl] (IPDOP), 4,7-diphenyl-1,10- ...
Strategies to Characterize Polar Organic Contamination in Wastewater: Exploring the Capability of High Resolution Mass Spectrometry
(ACS, 2014)
Wastewater effluents contain a multitude of organic contaminants and transformation products, which cannot be captured by target analysis alone. High accuracy, high resolution mass spectrometric data were explored with ...
A novel micellar chromatographic procedure for the determination of metanil yellow in foodstuffs
(Royal Society of Chemistry, 2015)
A simple, sensitive, rapid and eco-friendly liquid chromatographic method was developed for the detection of a non-permitted food colour metanil yellow in raw as well as cooked foodstuffs. Metanil yellow (3-(4-anilinophenylazo) ...
Photoluminescence and Photocatalytic properties of Ag3PO4 microcrystals: An Experimental and Theoretical investigation
(Wiley, 2015-11-09)
The structural, morphological, and optical properties of Ag3PO4 microcrystals were systematically characterized by using a combination of theoretical calculations and experimental techniques. These microcrystals were ...
Treatment of wastewater effluents from Bogotá – Colombia by the photo-electro-Fenton process: Elimination of bacteria and pharmaceutical
(Elsevier, 2021)
In this work, the occurrences of bacteria families and relevant pharmaceuticals in municipal wastewater effluents from Bogotá (Colombia), and their treatment by the photo-electro-Fenton process were studied. Twenty-five ...