Zobrazeno 1 - 10
of 139
pro vyhledávání: '"Gurin, V. S."'
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
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
Autor:
Gurin, V. S.
The models of endofullerenes C60 and C82 with silver atom or diatomic silver are calculated with ab initio SCF Hartree-Fock methods including the full geometry optimization. Ag@C60 is a bound system with positive binding energy while Ag2@C60 is not b
Externí odkaz:
http://arxiv.org/abs/cond-mat/0411566
Autor:
Rutkauskas, A. V., Gorshkova, Yu. E., Gurin, V. S., Kichanov, S. E., Kozlenko, D. P., Alexeenko, A. A.
Publikováno v:
Journal of Surface Investigation: X-Ray, Synchrotron & Neutron Techniques; Dec2022, Vol. 16 Issue 6, p1094-1100, 7p