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Zakharov I.I.,East Ukrainian National University
Journal of Structural Chemistry | Year: 2014

The B3LYP method within DFT and the ab initio MP2 method with an extended 6-311++G(3df,3pd) basis set are employed to calculate the adiabatic bound state of an excess electron in (H2O) 6 - water and (NH3) 13 -. ammonium clusters. Adiabatic electron affinity of (H2O)6 and (NH3) 13 clusters is 0.03-0.18 eV and 0.18 eV respectively. The calculated vertical binding energies of the excess electron in anionic clusters ((H 2O) 6 - 0.37÷0.66 eV and (NH 3) 13 - 0.26 eV) agree well with the experimental values of 0.50 eV and 0.22 eV obtained from photoelectron spectra. A cavity model of solvated electrons in water and ammonium is considered. © 2014 Pleiades Publishing, Ltd. Source


Zakharov I.I.,East Ukrainian National University
Theoretical and Experimental Chemistry | Year: 2012

The B3LYP density functional method with the expanded 6-311++G(3df,3pd) basis was used to calculate the energy profiles of the reaction 2NO 2 + H 2O→HNO 2 + HNO 3 in the gas phase and in the presence of water. The acid formation process should proceed through prior dimerization of {bullet operator}NO 2 radicals to give an asymmetrical trans isomer of ONONO 2 in the rate-limiting step with subsequent formation of nitrosonium nitrate {Mathematical expression}. © 2012 Springer Science+Business Media New York. Source


Khoroshun A.N.,East Ukrainian National University
Journal of Modern Optics | Year: 2010

The functions of phase wedge and symmetric phase mask for optical vortex synthesised from a Gaussian beam are carefully analysed. The optimal linear phase dependence in the cross-section of a Gaussian beam for the singular beam with a single charge synthesis is found. The similarity of the obtained beam phase and intensity distributions in the singular beam depending on the distance of the resulting field observation is investigated. The simple original technique of the experimental realisation of the necessary phase mask for the singular beam synthesis with the help of two inclined mirrors is offered. © 2010 Taylor & Francis. Source


Andreev P.Yu.,East Ukrainian National University
Petroleum Chemistry | Year: 2015

The ozonation reactions of benzo and dibenzo derivatives of pyrrole, furan, and thiophene in acetic acid solution have been studied. Peroxide compounds have been detected as the products. The mechanism of ozone interaction with these hetarenes has been proposed. The kinetics of ozonolytic reactions of benzologues of five-membered aromatic heterocycles (hetarenes) have been investigated. The reaction of ozone with the hetarenes obeys the bimolecular rate law and has the first order in each reactant. The effective rate constants and experimental stoichiometric coefficients for ozone have been found. © 2015 Pleiades Publishing, Ltd. Source


Filonenko A.D.,East Ukrainian National University
JETP Letters | Year: 2014

Incoherent radiation of relativistic electrons (positrons) of an extensive air shower in the ultrahigh energy range (∼10 GHz) has been studied. The method of the division of an electron track into coherent segments has been used to estimate the power of a radio signal and to determine the radiation pattern. Comparison of the signal with radio noise of an antenna has shown that this radiation can be detected by modern engineering instruments and applied to detect ultrahigh-energy cosmic particles. © 2014 Pleiades Publishing, Inc. Source

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