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21.
Łada T. Przybylski K. Morawski A. Prażuch J. Brylewski T. 《Journal of Thermal Analysis and Calorimetry》2001,64(2):611-615
The fabrication method of superconducting thin films of compositions HgBa2Ca2Cu3O8+δ (Hg-1223) and Tl2Ba2CuOy (2201) on single-crystalline SrTiO3 and LaAlO3 substrates is reported. The highest obtained T
c was 134 K and J
c over 106 A cm–2 at 77 K. High pressure DTA(HP-DTA) was applied to grow mercury- and thallium-based high-temperature superconducting crystals
and thin films, to identify melting points of particular phases within these oxide systems and determine suitable processing
conditions. The DTA system operates at the: maximum temperature of 1200°C, volume up to 5 cm3, working pressure up to 1.5 GPa and at a working atmosphere — inert gas with up to 25% oxygen.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献
22.
TERESA HŁADOŃ JAN Pawlaczyk BARBARA Szafran 《Journal of inclusion phenomena and macrocyclic chemistry》2000,36(1):1-8
The ibuprofen--cyclodextrin inclusion complex was prepared by theco-precipitation method. The identity of the obtained product was verified by X-ray and thermogravimetric techniques. The effect of -cyclodextrin on the stability of ibuprofen was analysed. 相似文献
23.
Bicrystals of Fe-6 at.% Si alloy containing <001> 5 tilt grain boundaries with a deposited zinc layer have been annealed at various hydrostatic pressure at four temperatures between 700° and 905°C. After the anneals the dihedral angle of the grain boundary groove formed at the site of the grain boundary intersection with the solid-melt interphase boundary has been measured. The transition from complete to incomplete wetting of the grain boundary by the zinc-rich melt (dewetting phase transition) has been found to occur as the pressure increased at all temperatures studied. The temperature dependence of the dewetting transition pressure p
w
has been determined. That dependence has a minimum at a temperature of 790°C, which is close to the peritectic temperature in the Fe–Zn system (782°C). A thermodynamic analysis of the wetting phenomena in the two-component system, based on Becker's regular solution model for the surface tension of the interphase boundary, explains the minimum in the p
w
(T) dependence. 相似文献
24.
The mass spectra of some tertiary aliphatic nitroaldehydes, nitroketones, nitroesters, nitronitriles and related nitrocarbonyl compounds are discussed and compared with those of some analogous nitro compounds lacking the carbonyl function. The M+˙ ? NO2˙ and in several cases M+˙ ? HNO2 fragmentation seem to be the most characteristic features of all tertiary aliphatic nitro compounds. In the presence of the primary nitro group, the loss of NHO2 is always observed. 相似文献
25.
Marek Trojanowicz Joanna Szpunar-Łobińska Zdzislaw Michalski 《Mikrochimica acta》1991,103(3-4):159-169
An original computer-controlled solid-state photometer has been developed and its potential for simultaneous multicomponent flow-injection analysis of binary and ternary mixtures is demonstrated. The device is simple in construction. Its principle of operation is based on rapid sequential measurements of the absorbance of the complexes formed by the analytes with chromogenic reagents at the wavelengths corresponding to the emission maxima of three light emitting diodes (563, 580 and 638 nm). 相似文献
26.
The correlation between the intensities of the M+˙ and [M ? H]+ ions of 47 cyclic acetals and thioacetals of alkyl formylphenoxyacetates and propionates as well as the fragmentation patterns in the vicinity of the molecular ion are discussed. The characteristic differences between the spectra of 1,3-dioxolanes, 1,3-oxathiolanes, 1,3-dithiolanes and 1,3-dioxanes are presented. 相似文献
27.
Chodkiewicz ML 《The Journal of chemical physics》2005,122(22):224107
A new method for generating a compact multipolar representation of the electrostatic potential (EP) for flexible molecules is presented. The method is based on a constrained minimization of the difference between the quantum mechanical and the classical EP. The fitting procedure used adopts the least absolute shrinkage and selection operator technique [R. Tibshirani, J. Roy. Stat. Soc. B 58, 267 (1996)] which can be seen as penalized ordinary least squares. The penalty function optimized for the particular molecule of interest effectively removes redundant multipoles. It is shown that the use of multiple conformations is crucial for the predictive ability of the EP model for flexible molecules. The multipole local coordinate systems are chosen in a way that best reflects the key conformational changes. It was demonstrated that such an approach improves the predictive ability of EP models. It also allows to exploit equivalence of atoms in the calculation of multipoles components. In the case of polar flexible molecules, the augmentation of the EP model based on charges by higher multipoles decreases the relative root mean square error by a factor of 1.5-5. The corresponding effect of enlargement of the set of multipoles was significantly reduced. 相似文献
28.
S. I. Kozlov G. Łapienis G. V. Rakova K. S. Kazanskii 《Polymer Science Series A》2006,48(10):1022-1034
Soluble comb-shaped and swelling network polymers based on monomethacrylate (M = 2080) and bismethacrylate (M = 4000) poly(ethylene oxide) macromonomers, have been synthesized by the controlled atom-transfer radical polymerization in aqueous media. PEG 2000 methyl ether ethyl-2-bromoisobutyrate and 2-bromoisobutyrate, in combination with CuBr, CuBr2, and 2,2′-bipyridyl, have been used as initiators. The length of the main chain of comb-shaped polymers, as estimated with multidetector chromatography, is in good agreement with the calculated values in the 15–20 range at M w /M n = 1.42–1.89. The polymerization of the methacrylate macromonomer proceeds at a high rate and with a nearly quantitative conversion. The replacement of 10–80 mol % CuBr with CuBr2 appreciably decelerates polymerization and decreases polydispersity to 1.14–1.21, while the experimental and calculated values of chain lengths remain equal. This finding indicates a higher level of process control. The polymer networks thus prepared manifest Gaussian elastic behavior, as is evident from the relationship between the elastic modulus G and the swelling degree Q that is consistent with the classical prediction G ~ Q m , where m = ?1/3. Within the framework of the accepted model of networks of this type, this fact suggests the short length of polymethacrylate chains. In addition, the relationship between the time of attainment of the gelation point and the composition of the initiation system agrees with the atomtransfer controlled polymerization mechanism. The efficiencies of various radical polymerization methods for controlling the network structure are compared. 相似文献
29.
Unimolecular phototautomeric reactions in 4-thiouracil, 1-methyl-4-thiouracil and 6-aza-4-thiouracil were studied using the matrix-isolation technique combined with infrared absorption spectroscopy. For monomers of these compounds, isolated in solid argon at 10 K, an intramolecular proton-transfer photoreaction was observed. Upon UV (lambda > 345 nm) irradiation, the initial oxo-thione forms of 4-thiouracils were converted into the corresponding oxo-thiol tautomers. The photogenerated oxo-thiol isomers were identified by comparing their experimental IR spectra with the spectra theoretically calculated at the DFT(B3LYP)/6-311++G(2d,p) level. Good agreement between the observed and predicted pattern of spectral bands allowed a reliable identification. This is the first report on experimental observation of isomeric forms of 4-thiouracils other than the canonical oxo-thione tautomers. 相似文献
30.
A method of direct calculation of lattice sums in three-dimensional crystals is reported. The method is based on annihilation of some lowest multipole moments of the unit cell by a redefinition of the unit cell content. As a result, properties of the infinite crystal can be calculated as usual by taking a finite cluster of unit cells, but surrounded by an additional surface layer of a charge density (e.g., a layer of point charges). This charge density distribution produces the electric field approximating that one of the rest of the infinite crystal. The method proposed is easily applicable in the SCFLCAO procedure as well as in any method using a cluster representation for an infinite crystal. The validity of the infinite crystal model for a finite crystal is also discussed. 相似文献