Zobrazeno 1 - 10
of 498
pro vyhledávání: '"Gurin, V"'
Autor:
Gurin, V. S., Rutkauskas, A. V., Gorshkova, Yu. E., Kichanov, S. E., Alexeenko, A. A., Kozlenko, D. P.
The sol-gel silica glasses doped with copper selenide nanoparticles were studied through small-angle neutron scattering (SANS) and transmission electron microscopy. SANS intensities demonstrate the complicated dependence on the scattering parameter (
Externí odkaz:
http://arxiv.org/abs/2112.01022
Autor:
Gurin, V. S.
A series of the cadmium selenide magic size clusters with the cores of Cd$_8$Se$_{13}$ terminated with H- and N-containing ligands are calculated at the DFT level with different functionals and ECP basis sets. The optimum functional was selected on t
Externí odkaz:
http://arxiv.org/abs/2006.14003
PbSe-doped silicate glasses were studied through wide-angle X-ray diffraction (WXRD) and small-angle neutron scattering (SANS). PbSe nanoparticles in the glasses were produced due to the secondary heat treatment at different temperatures and their ap
Externí odkaz:
http://arxiv.org/abs/1712.03426
Optical materials with semiconductor nanoparticles within dielectric matrices are of interest for construction of non-linear optical elements, selective filters, spectral converters, etc. In the present work, we concern the glasses with PbS and PbSe
Externí odkaz:
http://arxiv.org/abs/1612.02379
Autor:
Gurin, V. S., Korolkov, M. V.
Dipole moment functions of isotopomeric molecular ions, HCl+ and DCl+, are considered in the two coordinate systems, center of mass of nuclei and center of nuclear charges, both through simple analytical derivations and ab initio calculations of elec
Externí odkaz:
http://arxiv.org/abs/1512.07582
Small clusters of the As/Sb-S/Se system that is of importance for simulation of elementary structure units of chalcogenide glasses are calculated using DFT technique. Different structures of As2Xn- and Sb2Xn- (X=S,Se) with proper hydrogen termination
Externí odkaz:
http://arxiv.org/abs/1504.00246
A structure of germanium selenide glasses is simulated by the featured clusters built from the tetrahedral GeSe4 units up to the clusters with six germanium atoms (Ge6Se16H4 and Ge6Se16H8). Quantum chemical calculations at the DFT level with effectiv
Externí odkaz:
http://arxiv.org/abs/1304.1251
Autor:
Gurin, V. S.
Ab initio calculations of cadmium chalcogenide nanoclusters with terminating groups (H, O, N, and C atoms bound to the surface sulfur) are considered as a simulation for the species produced in typical synthesis of bio-conjugates with luminescent qua
Externí odkaz:
http://arxiv.org/abs/0912.2177
Autor:
Gurin, V. S.
A series of endofullerenes M@C60 were calculated from the first principles (unrestricted Hartree Fock and DFT B3LYP) methods with effective core potential (M = Ag, Cs) and all-electronic basis set (M = Li, Na, Cu). An arbitrary symmetry distortion (d
Externí odkaz:
http://arxiv.org/abs/0812.0253
Autor:
Gurin, V. S.
The model of endofullerenes M@C60 with M=Li,Na,Cs,Cu,Ag are proposed for study an effect of the nature of endoatoms upon features of the minimum energy structures. They were calculated by SCF Hartree-Fock method with ECP (Ag and Cs) and all-electroni
Externí odkaz:
http://arxiv.org/abs/cond-mat/0612187