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Приказ резултата 91-98 од 98
General treatment of the multimode Jahn-Teller effect: study of fullerene cations
(Royal Soc Chemistry, Cambridge, 2013)
A general model for the analysis of the Adiabatic Potential Energy Surfaces (APES) of the molecules that are subject to the multimode Jahn-Teller effect is presented. The method utilizes the information obtained by DFT ...
Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations
(Royal Soc Chemistry, Cambridge, 2013)
We report here computed spin-state energies and UV-Vis spectra for several transition metal complexes with a triazacyclononane ligand. Our results show that the spin ground-state is correctly obtained with either OPBE or ...
Influence of peanut matrix on stability of allergens in gastric-simulated digesta: 2S albumins are main contributors to the IgE reactivity of short digestion-resistant peptides
(Wiley, Hoboken, 2018)
BackgroundMost food allergens sensitizing via the gastrointestinal tract are stable proteins that are resistant to pepsin digestion, in particular major peanut allergens, Ara h 2 and Ara h 6. Survival of their large fragments ...
Chemical modification of chloroperoxidase for enhanced stability and activity
(Elsevier Sci Ltd, Oxford, 2014)
Chloroperoxidase from Caldariomyces fumago (CPO, EC 1.11.1.10) is one of the most interesting enzymes from the group of heme peroxidases and has been extensively applied in synthetic processes. Nevertheless, the practical ...
Binary oxide ceramics for enhanced phenols degradation under simulated Solar light
(Wiley, Hoboken, 2018)
Solvothermal synthesis of ZrO2-TiO2 binary oxides and pure counterparts at 150 degrees C in water/isopropanol media is presented. Titanium (IV) isopropoxide and zirconium (IV) propoxide were used as precursors. XRD and TEM ...
Magnetic Anisotropy in "Scorpionate" First-Row Transition-Metal Complexes: A Theoretical Investigation
(Wiley-VCH Verlag Gmbh, Weinheim, 2015)
In this work we have analyzed in detail the magnetic anisotropy in a series of hydrotris(pyrazolyl)borate (Tp(-)) metal complexes, namely [VTpCl](+), [CrTpCl](+), [MnTpCl](+), [FeTpCl], [CoTpCl], and [NiTpCl], and their ...
Simple One-Pot Synthesis of Fully Biobased Unsaturated Polyester Resins Based on Itaconic Acid
(American Chemical Society (ACS), 2017)
For the preparation of fully biobased unsaturated polyester resins (UPRs), the replacement of styrene with alternate nonpetroleum-based monomers turned out to be one of the most challenging tasks. Its complexity lies in ...
Superior photocatalytic properties of carbonized PANI/TiO2 nanocomposites
(Elsevier, 2017)
A simple bottom-up method for the preparation of novel and very efficient photocatalytic nanocomposite system based on carbonized form of polyaniline (PANI) and colloidal TiO2 nanocrystals has been developed. The carbonized ...