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1.
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B. P. Sorokin D. A. Glushkov L. N. Bezmaternykh V. L. Temerov I. A. Gudim K. S. Aleksandrov 《Physics of the Solid State》2004,46(3):458-461
Single crystals of lead gallium germanate Pb3Ga2Ge4O14 are grown from their own solution melts. The propagation of bulk acoustic waves is investigated, and the elastic, piezoelectric, and dielectric constants are calculated. The temperature dependences of the dielectric constants of this compound are analyzed. 相似文献
3.
The energy levels and oscillator strengths for dipole transitions between the levels of low-lying configurations are calculated for ions of the KI isoelectronic sequence. The calculations are based on the energy approach to the effective potential method with the most important polarization effects taken into account, including core polarization by the outer electron. The results, some of which are obtained here for the first time for potassium-like ions, can be useful in a number of related fields, such as laser physics, plasmas, and so on.Odessa Hydrometeorological Institute. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 11, pp. 3–9, November, 1992. 相似文献
4.
A compromise version of calculation of the ground state electronic energy is proposed that combines both the density functional theory and the wave function formalism. Single-particle orbitals and energies are determined by solving the Kohn-Sham equations with a local effective potential, which depends on the parameters determined by the variational principle. Correlation corrections are calculated using the Rayleigh-Schrödinger perturbation theory in the zero-order approximation of the Möller-Plesset theory. The specific features of the expressions for the corrections to the wave function and the energy determined in terms of the Kohn-Sham orbitals are considered. This approach, in contrast to the well-known optimized effective potential method, can be applied with equal computational expenditures to both atoms and molecules. A comparative analysis for 20 helium-like atoms showed that the scheme proposed provides better agreement with the “exact” values of the energy in the second order of the perturbation theory in comparison with the results obtained using the conventional exchange-correlation potentials BLYP and PW91. A similar trend is also observed for diatomic hydrides (from LiH to FH), although, in contrast to the atoms, the deviations from the experimental estimates of the energy are less systematic. 相似文献
5.
V.V. Glushkov S.V. Demishev M.I. Ignatov Yu.B. Paderno N.Yu. Shitsevalova O.A. Churkin N.E. Sluchanko 《Journal of solid state chemistry》2006,179(9):2871-2874
In order to reveal the nature of the ground state of archetypal intermediate-valence compound SmB6, a comprehensive study of its transport and magnetic properties was carried out on high-quality single crystals at temperatures of 1.8-300 K in magnetic fields up to 7 T. A drastic enhancement of negative magnetoresistance was observed below 14 K, with the maximum absolute value of Δρ/ρB2∼2.2×10−3 T−2 at T≈5.2 K. This effect seems to be attributable to anomalous magnetic scattering of many-body (exciton-polaronic) complexes induced by fast valence fluctuations on Sm sites. The observed anomalies of magnetotransport, thermoelectric and magnetic characteristics are discussed in terms of electron phase transition to the coherent state of interacting many-body complexes occurring at T*∼5 K. 相似文献
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V. A. Glushkov I. V. Mashevskaya V. I. Sokol E. V. Feshina O. A. Maiorova 《Chemistry of Heterocyclic Compounds》1997,33(7):783-788
The reaction of arylhydrazides of -alkyl--chlorocarboxylic acids with thiocyanate ions gave intermediate thiocyanates which rearranged to isothiocyanates on heating and the latter cyclized to 5,5-dialkyl-3-arylamino-2-thiohydantoins.Institute of Technical Chemistry, Urals Branch, Russian Academy of Sciences, Perm' 614000. Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 7, pp. 898–903, July, 1997. 相似文献
8.
3,3-Dimethyl-1-hydrazono-1,2,3,4-tetrahydroisoquinoline derivatives react with benzil in 1 : 1 or 2 : 1 ratio to give the corresponding benzil monohydrazones. Diacetyl under the same conditions forms dihydrazones. Enolizing 1,3-dicarbonyl compounds form with 3,3-dimethyl-1-hydrazono-1,2,3,4-tetrahydroisoquinoline derivatives mixtures of mono- and dihydrazones. Dehydracetic acid forms monohydrazones at the exochain carbonyl group. 相似文献
9.
Aleksandr V. Prichodko Evgenii V. Shatkovski Sergei G. Yastrebov 《International Journal of Infrared and Millimeter Waves》1994,15(3):579-584
Photostimulated changes in thin carbon films deposited onto fused silica substrates by reactive magnetron sputtering and irradiated by the light of the first (1060nm) and the second (530nm) harmonics of a QW-switched Nd3+ AVG laser were investigated. The changes are supposed to be connected with the reordering of chemical bounds. 相似文献
10.