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Приказ резултата 11-20 од 33
An ab initio study of SbH2 and BiH2: The Renner effect, spin-orbit coupling, local mode vibrations and rovibronic energy level clustering in SbH2
(Academic Press Inc Elsevier Science, San Diego, 2016)
We present the results of ab initio calculations for the lower electronic states of the Group 15 (pnictogen) dihydrides, SbH2 and BiH2. For each of these molecules the two lowest electronic states become degenerate at ...
Resolving the origin of the multimode Jahn-Teller effect in metallophthalocyanines
(Royal Soc Chemistry, Cambridge, 2016)
A detailed Density Functional Theory (DFT) analysis was performed in order to study the multimode Jahn-Teller (JT) problem in the electronic ground state of manganese phthalocyanine (MnPc). A comparison with the magnesium ...
Complex investigation of charge storage behavior of microporous carbon synthesized by zeolite template
(Elsevier, 2016)
Microporous zeolite templated carbon (ZTC) was synthesized by impregnation method using zeolite Y (Na-form) as a template, and furfuryl alcohol as a carbon precursor. The characterization was carried out by X-ray diffractometry, ...
Synthesis and anti-Candida activity of novel benzothiepino[3,2-c]pyridine derivatives
(Wiley, Hoboken, 2016)
A novel series of thiepine derivatives were synthesized and evaluated as potential antimicrobials. All the synthesized compounds were evaluated for their antimicrobial activities in vitro against the fungi Candida albicans ...
Structural, photoluminescent and photocatalytic properties of TiO2:Eu3+ coatings formed by plasma electrolytic oxidation
(Elsevier, 2016)
In this paper, we used plasma electrolytic oxidation (PEO) of titanium in water solution containing 10 g/L Na3PO4 center dot 12H(2)O + 2 g/L Eu2O3 powder for preparation of TiO2:Eu3+ coatings. The surfaces of obtained ...
Linear modeling of the soil-water partition coefficient normalized to organic carbon content by reversed-phase thin-layer chromatography
(Elsevier, 2016)
Soil-water partition coefficient normalized to the organic carbon.content (K-OC) is one of the crucial properties influencing the fate of organic compounds in the environment. Chromatographic methods are well established ...
Selective anticancer activity of hydroxyapatite/chitosan-poly(D,L)-lactide-co-glycolide particles loaded with an androstane-based cancer inhibitor
(Colloids and Surfaces B: Biointerfaces, 2016)
In an earlier study we demonstrated that hydroxyapatite nanoparticles coated with chitosan-poly(d,l)-lactide-co-glycolide (HAp/Ch-PLGA) target lungs following their intravenous injection into mice. In this study we utilize ...
Quantitative structure-activity relationship analysis of substituted arylazo pyridone dyes in photocatalytic system: Experimental and theoretical study
(Elsevier, 2016)
A series of arylazo pyridone dyes was synthesized by changing the type of the substituent group in the diazo moiety, ranging from strong electron-donating to strong electron-withdrawing groups. The structural and electronic ...
Kinetic Analysis of Nonisothermal Reduction of Silica-Supported Nickel Catalyst Precursors in a Hydrogen Atmosphere
(Philadelphia : Taylor & Francis Inc, 2016)
A series of silica-supported nickel catalyst precursors was synthesized with different SiO2/Ni molar ratios. Reduction of Ni catalyst precursors with different SiO2/Ni molar ratios under a hydrogen atmosphere was investigated ...
Preferred Geometries and Energies of Sulfur Sulfur Interactions in Crystal Structures
(American Chemical Society (ACS), 2016)
It has been demonstrated that sulfur sulfur interactions can exist in various molecular systems. In this work we investigated sulfur-sulfur interactions in crystal structures of small molecules by analyzing geometric data ...