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1.
E. L. Belokoneva A. G. Ivanova S. Yu. Stefanovich O. V. Dimitrova V. S. Kurazhkovskaya 《Crystallography Reports》2004,49(4):603-613
Crystals of new rare earth borates of the composition Ln[B6O9 (OH)3] (Ln = Sm-Lu), sp. gr. R3c are synthesized under hydrothermal conditions. Their crystal structures are determined on single crystals with Ln = Ho, Gd without preliminary determination of their chemical formulas. The polar anionic framework of the crystals consists
of BO3 triangles and BO4 tetrahedra and has wide channels along the threefold axis of the structure, which are similar to the channels along the a, b, and c axes in cubic Li4[B7O12]Cl boracite with Li conductivity. Rare earth atoms are arranged in the structure over the cubic F pseudolattice, whereas
the analogous positions in Li boracites are filled with Cl anions. The squared optical nonlinearity of the new crystals is
comparable with the nonlinearity of quartz, whereas the electrical conductivity in borates at 300°C exceeds 10−6 S/cm.
__________
Translated from Kristallografiya, Vol. 49, No. 4, 2004, pp. 681–691.
Original Russian Text Copyright ? 2004 by Belokoneva, Ivanova, Stefanovich, Dimitrova, Kurazhkovskaya. 相似文献
2.
3.
Dimitrov S Dimitrova N Parkerton T Comber M Bonnell M Mekenyan O 《SAR and QSAR in environmental research》2005,16(6):531-554
The base-line modeling concept presented in this work is based on the assumption of a maximum bioconcentration factor (BCF) with mitigating factors that reduce the BCF. The maximum bioconcentration potential was described by the multi-compartment partitioning model for passive diffusion. The significance of different mitigating factors associated either with interactions with an organism or bioavailability were investigated. The most important mitigating factor was found to be metabolism. Accordingly, a simulator for fish liver was used in the model, which has been trained to reproduce fish metabolism based on related mammalian metabolic pathways. Other significant mitigating factors, depending on the chemical structure, e.g. molecular size and ionization were also taken into account in the model. The results (r(2)=0.84) obtained for a training set of 511 chemicals demonstrate the usefulness of the BCF base line concept. The predictability of the model was evaluated on the basis of 176 chemicals not used in the model building. The correctness of predictions (abs(logBSF(Obs)-logBCF(Calc))=0.75)) for 59 chemicals included within the model applicability domain was 80%. 相似文献
4.
Z. Popova R. Dimitrova Chr Dimitrova G. Wendt 《Reaction Kinetics and Catalysis Letters》1989,39(1):27-32
Temperature programmed reduction (TPR) has been used to study the redox behavior of Ni(II) ions in nickel sodium mordenite (NiNaM) and decationated nickel mordenite (NiHM). The TPR profiles suggest that Ni(II) ions occupy nonequivalent sites with different cooridination states in the mordenite. The reducibility of Ni(II) depends strongly on the zeolite acidity.
() NiII NiNaM NiHM. . .相似文献
5.
6.
Nataša Pejić Slobodan Anić Vesna Kuntić Vladana Vukojević Ljiljana Kolar-Anić 《Mikrochimica acta》2003,143(4):261-267
A kinetic method is described for the microquantitative (microconcentration/microvolume) determination of rutin based on potentiometric monitoring of the concentration perturbations of the Bray-Liebhafsky (BL) oscillatory reaction being in a non-equilibrium stationary state close to a bifurcation point. The experiments are carried out in an open reactor. The response of the matrix system to perturbations by different concentrations of rutin ethanolic solutions is followed by a Pt-electrode. In the concentration range between 7.8×10–8moldm–3 and 9.1×10–6mol dm–3, we found a linear dependence of the maximal potential shift, Em, on the logarithm of the rutin concentrations. The unknown concentrations can be determined from the calibration curve up to an accuracy of ±5%. The detection limit is 3.6×10–8mol dm–3. The amount of required sample can be as small as 10µL. 相似文献
7.
Zeolite-based monoliths (Cu/ZSM-5 on cordierite) are prepared and used to catalyze direct decomposition of nitrogen monoxide. Two-dimensional heterogeneous model is applied to describe the behavior of the monolith reactor, with the emphasis on the features introduced due to coupling of flow, mass transfer and chemical reaction. The proposed model has been verified by comparing computer simulation data with laboratory experimental data. It is shown that both inter- and intraphase diffusion limitations have to be considered when modeling complex reactor configuration, such as monolith reactors, especially when monolith with thicker catalytic layer are used at higher temperatures. 相似文献
8.
M. Panteleeva und M. Dimitrova 《Fresenius' Journal of Analytical Chemistry》1972,260(4):290-291
Ohne Zusammenfassung
Rapid spectrophotometric determination of tantalum in hard-metal alloy mixtures using nil blue相似文献
9.
Nadica Ivošević DeNardis Vera Žutić Vesna Svetličić Ranieri Urbani 《Electroanalysis》2007,19(4):473-478
In situ amperometric characterization of an aggregating system in terms of molecular adsorption and single microparticle interactions at the electrode interface is demonstrated using a model system: alginate/Ca(II) in an aqueous electrolyte solution. Recording of chronoamperometric curves of oxygen reduction at the dropping mercury electrode is designed for detection of dip‐shaped signals of individual gel microparticles. By addition of Ca(II) decrease of alginate adsorption is accompanied by appearance of signals indicating vesicle type association of alginate molecules and microparticles of gel phase. AFM imaging provided evidence of initial stage in calcium alginate gel formation. 相似文献
10.
Yordanka Dimitrova Sigrid D. Peyerimhoff 《Zeitschrift für Physik D Atoms, Molecules and Clusters》1994,32(3):241-247
The hydrogen-bonded complexes involving formaldehyde and a series of proton donors of varying strengths, have been investigated at different levels of ab initio MO theory. The structures of the studied complexes were SCF optimized at the 6-31G basis set level. The binding energy was estimated employing basis set superposition correction, zero-point vibrations and MP2 correlation contribution at the different basis set: STO-3G; 6-31G; MP2/6-31G; 6-31G**; MP2/6-31G**; 6-311G(2d, 2p) and MP2/6-311G(2d, 2p). Linear relationships were found of the calculated binding energy with: the calculated shift in the carbonyl stretching frequency, the changes in carbonyl bond length and the optimum value of hydrogen-bond distance; furthermore the calculations confirm a parallel trend between the proton-donor ability and the strength of the hydrogen bond. 相似文献