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121.
O. V. Koryakova V. V. Sattarova D. V. Sevenard O. G. Khomutov K. I. Pashkevich 《Russian Journal of General Chemistry》2003,73(1):141-144
The tautomeric equilibrium in substituted 5,6,7,8-tetrahydroquinazolines was studied by IR spectroscopy. The effect of various substitutents in the pyrimidine ring and the solvent on the state of the tautomeric equilibrium was evaluated. 相似文献
122.
O. Castaños 《Journal of Molecular Spectroscopy》2007,241(1):51-60
A simple algebraic approach to calculate general Franck-Condon overlaps is extended to evaluate non-Condon factors for two one-dimensional harmonic oscillators. The method is based on the use of eigenstates of the harmonic oscillator annihilation operator which allows to obtain in terms of a multi-dimensional Hermite polynomial the overlap of harmonic oscillator functions associated with different Born-Oppenheimer potentials. The presented approach is self-contained, only basic concepts of quantum mechanics associated with the harmonic oscillator system are needed. The obtained expression for the Franck-Condon overlaps is similar to the Ansbacher’s formula and equivalent to the one calculated by Malkin and Man’ko. However our final expression has the advantages that only real numbers are involved and it is straightforward to get the limit case of equal frequencies. Concerning the non-Condon factors two approaches leading to different formulas are considered, both of which reduce to triple sums of products of three Hermite polynomials. 相似文献
123.
Koval'chukova O. V. Kuz'mina N. E. Strashnova S. B. Palkina K. K. Mordovina N. I. Zaitsev B. E. Nikitin S. V. 《Russian Journal of Coordination Chemistry》2003,29(2):123-128
Complexes of scandium, yttrium, and lanthanum nitrates with 3-chloro-9-hydroxy-2,4-dimethylpyrido[1,2-a]pyrimidinium perchlorate (HL1ClO4) and 9-hydroxy-2,4-dimethylpyrido[1,2-a]pyrimidinium perchlorate (HL2ClO4) were obtained. Their composition was formulated as Sc(LClO4)2(NO3) and M(LClO4)2(NO3)2 (L = L1 or L2; M = Y or La); structures for the complexes obtained were proposed. The crystal and molecular structure of HL1ClO4 was determined. Dissociation and complexation of HL1ClO4 and HL2ClO4 in aqueous ethanol were studied using the spectroscopic method. Ligand dissociation and complexation constants were calculated. It was shown that a chlorine-containing organic ligand only slightly changes the composition and stability of the metal complexes. 相似文献
124.
An upper bound for the best approximation of summable functions of several variables by trigonometric polynomials in the metric of L is determined in terms of Fourier coefficients. We consider functions representable by trigonometric series with certain symmetry of coefficients satisfying a multiple analog of the Sidon–Telyakovskii conditions. 相似文献
125.
N. A. Anurova V. A. Blatov G. D. Ilyushin O. A. Blatova A. K. Ivanov-Shitz L. N. Demyanets 《Crystallography Reports》2008,53(6):930-936
A new method was developed for studying voids and channels in crystal structures based on the Voronoi-Dirichlet partition
of crystal space, and 822 structurally characterized ternary compounds Li
p
X
q
O
r
were analyzed for the first time. For these compounds, the dimensionality was determined and the migration patterns of channel
systems capable of providing lithium-ion transport were constructed. The calculated coordinates of lithium atoms in the centers
of the voids are consistent (within 0.4 ?) with the known structural data. Among these compounds, 113 compounds have infinite
channel systems, 60 compounds (18 structural types, STs) have been described earlier in the literature as solid electrolytes,
and 53 compounds (23 STs) can be considered as potential one-, two-, or three-dimensional ionic conductors (13, 3, and 7 STs,
respectively).
Original Russian Text ? N.A. Anurova, V.A. Blatov, G.D. Ilyushin, O.A. Blatova, A.K. Ivanov-Shitz, L.N. Dem’yanets, 2008,
published in Kristallografiya, 2008, Vol. 53, No. 6, pp. 987–993. 相似文献
126.
O. M. Ostrikov 《Mechanics of Solids》2008,43(5):793-797
We propose a dislocation model of a nanotwin, which is used to calculate the stress fields in the nanotwin. We consider the role of these stresses in the process of interdislocation interaction and nanotwin growth. 相似文献
127.
The aim of this study is to construct a quantitative characteristic for the degree of gaze stabilization on a visual target with consideration of physiological constraints. A quality criterion for visual tracking during optokinetic vestibulocervical nystagmus is proposed. The index of imaginary tracking during rotation in the dark allows one to speak of a difference in the image stabilization quality between a healthy person and a patient. Experimental nystagmus data are used to calculate the quality index of visual tracking and the index of imaginary tracking. 相似文献
128.
Local and nonlocal coercive estimates in Lebesgue, Hölder, and Morrey–Campanato spaces are proved for solutions of linear stationary systems of hydrodynamic type. For this purpose, the technique proposed by Italian mathematicians for the study of solutions to equations and systems of elliptic and parabolic types is developed. Bibliography: 14 titles. 相似文献
129.
130.
Within the framework of microscopic fluctuation-dissipation theory, we obtain the stochastic equation describing the Brownian motion of an electron in the phonon field of the crystal lattice. An expression for the Green’s function of the phonon field is found in general form and for the case of linear phonon-variable interaction of an electron with the phonon field with allowance for the potential screening of crystal-lattice nuclei. An expression for the phonon drag acting on a conduction electron in the lattice field is found and analyzed with allowance for the interaction. Frequency dependence of the coefficient of the phonon drag acting on a conduction electron is studied and the contribution of the electron-phonon interaction to the effective mass of a charge carrier is determined.__________Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Radiofizika, Vol. 48, No. 3, pp. 249–268, March 2005. 相似文献