Претраживање
Приказ резултата 1-10 од 62
Density functional theory study of the magnetic coupling interaction in a series of binuclear oxalate complexes
(Springer Wien, Wien, 2012)
Magnetic couplings in oxalate-bridged binuclear complexes, namely five isomers of [(VO)(2)(ox)(SCN)(6)](4-), trans-(equatorial, equatorial), cis-(equatorial, equatorial), trans-(axial, axial), cis-(axial, axial), and (axial, ...
Kinetic Analytical Method for Determination of Uric Acid in Human Urine using Analyte Pulse Perturbation Technique
(Sociedade Brasileira de Química, 2012)
Simple and reliable novel methods for the determination of uric acid (UA) are proposed and validated. For quantitative determination of UA, two matrices were used: the Bray-Liebhafsky (BL) oscillatory reaction in a stable ...
Magnetic criteria of aromaticity in a benzene cation and anion: how does the Jahn-Teller effect influence the aromaticity?
(Oxford : Pergamon-Elsevier Science Ltd, 2012)
The aromatic/antiaromatic behavior of the Jahn-Teller UT) active benzene cation and anion has been investigated using Density Functional Theory (DFT) calculations of Nuclear Independent Chemical Shifts (NICS) and magnetic ...
New androst-4-en-17-spiro-1,3,2-oxathiaphospholanes. Synthesis, assignment of absolute configuration and in vitro cytotoxic and antimicrobial activities
(Elsevier Science Inc, New York, 2012)
The reactions of 17 alpha-hydroxyprogesterone with Lawesson's reagent (LR) in toluene, CH2Cl2 and/or CCl4 gave, depending on the duration of the reaction, two diastereoisomeric androst-4-en-17-spiro-1,3,2-oxathiaphosphol ...
Dynamic Mechanical Behaviour of Polymer Bonded Nd-Fe-B Composite Materials
(Japan Inst Metals, Sendai, 2012)
Magnetic composite materials with varied content of Nd-Fe-B particles in epoxy matrix are examined from a dynamic mechanical perspective. Structural, viscoelastic and magnetic properties of composites have been observed ...
The application of zeolite nanopowder for the construction of the dense composite polymer membranes for carbon dioxide separation
(Inst Materials Physics, Bucharest, 2012)
The main task of the work is to construct the polymeric membrane that could be used for the waste gases treatment. For this purpose, membrane must have high permeability for the carbon dioxide and low permeability of the ...
Carbon monoxide electrooxidation on Pt and PtRu modified zeolite X
(Springer, Dordrecht, 2012)
Zeolite NaX was modified by Pt and Pt/Ru nanodispersed metallic clusters. This modification was achieved by zeolite impregnation with acetylacetonate salt/acetone solution, followed by acetone evaporation and thermal ...
Magnetic couplings mediated through the non-covalent interactions
(Oxford : Pergamon-Elsevier Science Ltd, 2012)
Density functional theory (DFT), broken symmetry (BS) approach, was applied in order to determine the mechanism of couplings through the non-covalent interactions for the series of coordination compounds bridged by strong ...
Crystal structure and chemical composition of ludwigite from Vranovac ore deposit (Boranja Mountain, Serbia)
(John Wiley & Sons, Inc., 2012)
The crystal structure of ludwigite from Vranovac ore deposit (Boranja Mt., Serbia) was refined using the X-ray powder diffraction (XRPD) Rietveld method in the space group Pbam to a final RB=7.45% and RF=5.26%. It has the ...
Modeling interactions of α1a adrenergic receptor and different arylpiperazine ligands
(Inst Materials Physics, Bucharest, 2012)
Molecular modelling studies were undertaken in order to identify key interactions of selected ligands with α1A adrenergic receptor, responsible for their binding and presumably receptor activation. The previously made model ...