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91.
O. Maksimov P. Fisher M. Skowronski P.A. Salvador M. Snyder J. Xu X. Weng 《Journal of Crystal Growth》2008,310(11):2760-2766
MgO films were grown on (0 0 1) yttria-stabilized zirconia (YSZ) substrates by molecular beam epitaxy (MBE). The crystalline structures of these films were investigated using X-ray diffraction and transmission electron microscopy. Growth temperature was varied from 350 to 550 °C, with crystalline quality being improved at higher temperatures. The MgO films had a domain structure: (1 1 1)[1 1 2¯]MgO(0 0 1)[1 0 0]YSZ with four twin variants related by a 90° in-plane rotation about the [1 1 1]MgO axis. The observed epitaxial orientation was compared to previous reports of films grown by pulsed laser deposition and sputtering and explained as resulting in the lowest interface energy. 相似文献
92.
Reduction of tetranuclear heterometallic complex Mo2Mg2 was simulated using the B3LYP and PBE density functional methods. The results of geometry calculations of the initial complex
[MoVIO2Mg(MeOH)2(OMe)4]2 and a partially reduced MoV complex are in good agreement with experimental data. The reduced MoIII complex is characterized by a decrease in the binding energy of aqua ligands. Structural rearrangement of the complex with
release of a coordination position at the Mo atoms requires small energy expenditure. One can assume that the reduction of
the polynuclear complex causes overcrowding of its coordination sphere, which favors formation of dinitrogen complexes.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 441–457, March, 2008. 相似文献
93.
K. Popov-Pergal L. Cuckovic M. Rancic M. Pergal D. Djokovic 《Chemistry of Heterocyclic Compounds》2003,39(8):1090-1093
A series of methyl 2-(arylidene-2,4-dioxotetrahydrothiazol-3-yl)propionates were prepared. A study of the 3D structure was performed. The log P values are given for all the synthesized compounds. 相似文献
94.
The reaction pathway for the Ca3Al2O6 formation up to 1300°C, from mechanochemically treated mixtures of amorphous aluminum hydroxide and CaCO3, was studied in situ by differential thermal analysis, constant heating rate dilatometry and time-resolved neutron powder diffraction. The experiment was carried out, in an open system, on a sample with the nominal Ca3Al2O6 stoichiometry. The results obtained by neutron diffractometry and thermal analysis were in good agreement with the data obtained by scanning electron microscopy and X-ray diffraction on heat-treated and-quenched samples. The synthesis path implied the formation of cryptocrystalline Al2O3, crystalline CaO, CaAl2O4 and Ca12Al14O33 as transitory phases. Finally the nucleation and growth of the single phase Ca3Al2O6 took place at 1300°C and exhibited porous structure due to CO2 and H2O release. 相似文献
95.
96.
In this paper we give the answer to the Gromov's question about the macroscopic dimension of universal coverings of closed manifolds in dimension 3. We prove that the macroscopic dimension of a universal covering of a closed Riemannian 3-manifold cannot be equal to 2. 相似文献
97.
V. Klepko S. Ryabov Yu. Kercha L. Bulavin R. Bila V. Slisenko O. Vasilkevich V. Krotenko 《Journal of Molecular Liquids》2005,120(1-3):67-69
Water molecule mobility in ion-containing and nonionic aqueous solutions of β-cyclodextrin was studied by quasielastic neutron scattering (QENS). The total self-diffusion coefficients and their components corresponding to the contributions from collective (Lagrange type) and single-particle (jump diffusion) parts of molecular motions were determined. From the data obtained, one can conclude that the molecular mobility of free water in nonionic aqueous solutions of β-cyclodextrin with guest molecules (2-aminopyridine) proceeds by a single-particle mechanism. The addition of Pb2+ ions into the solution leads to increase in self-diffusion coefficients and growth of a bound water fraction. 相似文献
98.
99.
100.
Zh. A. Krasnaya E. O. Tret’yakova V. V. Kachala S. G. Zlotin 《Russian Chemical Bulletin》2008,57(8):1671-1675
A reaction of 2,2-disubstituted 1,1-dicyanoethenes with β-dimethylaminoacrolein aminal and 3-dimethylamino-1,1,3-trimethoxypropane
leads to substituted 6,6-dicyano-1-dimethyl-aminohexatrienes and an organic salt containing 1,1,9,9-tetracyano-2,8-diphenylnona-2,4,6,8-tetraenide
as the anion and (dimethylaminopropenylidene)dimethylammonium as the cation, on the basis of which new cation-anionic polymethine
dyes were obtained.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1639–1643, August, 2008. 相似文献