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21.
The interactive generation of chemical structures from given fragments is described and discussed. It is implemented as a part of our expert system CARBON, based on C-13 NMR spectra. As it is designed, this program can also be a useful tool in the structure elucidation process when information on parts of the structure is obtained by other means (IR, mass and other spectrometries, chemical analysis, other relevant information). The topological characteristics of candidate fragments are first chosen interactively and then the elements are connected in all topologically possible ways. In the following step, the topological building blocks are substituted by chemical structural fragments resulting in a set of all chemical structures consistent with the input information. 相似文献
22.
The spinels of the system LixMn1?xV2O4 (0 ? x ? 1) have been prepared at 700–750°C from LiV2O4 and MnV2O4. The lattice constants decrease linearly with increasing x. In the region x>0.75, the d-electrons of V should be delocalized as the VV distances are lower than the critical VV separation of 2.94 Å. Experimentally, the samples with x>0.6 show no IR absorption bands and the Seebeck coefficient is near zero. The Seebeck coefficient can be described with a model of intermediate polarons and can be expressed by the equation . 相似文献
23.
AES depth profiles on ceramic powders (untreated/hydrolyzed/oxidized/ (Al, Y)2O3 coated Si3N4, [BaO, SiO2] coated Al2O3) are feasible on thin, homogeneous layers or m sized agglomerations prepared on an Au foil. By means of the depth profiles one can qualitatively characterize the coating around the particles. Factor analysis of the depth profiles on the differently treated Si3N4 powders suggests the existence of an Si2N2O phase on the oxidized sample.Dedicated to Professor Günther Tölg on the occasion of his 60th birthday 相似文献
24.
Spinels with substituted Nonmetal Sublattices. IV. CuCr2(S1?xSex)4 and CuCr2(Se1?xTex)4 Polycrystalline samples of the spinel system CuCr2(S1?xSex)4 have been prepared with 0 ≤ x ≤ 1. We found that in the spinel system CuCr2(Se1?xTex)4 no solid solution is existent in the range 0.01 ≤ x ≤ 0.70. When S is substituted by Se and Se by Te the lattice constants increase linearely by 0.52 Å and 0.81 Å respectively. The anion-sublattice shows random distribution of the chalcogen atoms, the chalcogen parameters u are constant in the system CuCr2(S1?xSex)4 with a mean value of u = 0.3829. The calculated anion-cation-distances lead to a covalent tetrahedral radius rCu = 1.23 Å. This radius is in agreement with the radius rCu = 1.22 Å of Cu spinels with Cu in the valence +1. 相似文献
25.
Polycrystalline samples of spinel compounds FeCr2?xInxS4 have been obtained in the range 0 ≦ x ≦ 2. The nonlinear changes of the cell parameters are explained by the nonlinear behavior of the inversion parameter λ according to the ionic distribution Fe2+1?λIn3+λ[Cr3+2?xFe2+λIn3+x?λ]S2?4. Room temperature57Fe-Mo¨ssbauer spectra exhibit two sets of absorptions for tetrahedrally and octahedrally coordinated Fe, respectively, each consisting of several overlapping doublets of similar isomer shifts but varying quadrupole splittings. The partial intensity of octahedral-site Fe is in agreement with λ. The spectra can be understood by accounting for the influence of variable octahedral-site neighbors on tetrahedral-site iron. 相似文献
26.
[reaction: see text] Whereas cyclopentenylcarbenes resulting from photocycloaddition of 4-alk-1-ynylcoumarins to 2,3-dimethylbut-2-ene undergo tandem cyclization to hitherto unknown tetracyclic (4-hetera)cyclopent[b,c]acenaphthylenes, the corresponding cyclopentenylnitrenes stemming from 4-cyanocoumarins and the same alkene are converted into tricyclic imines via H-abstraction. 相似文献
27.
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29.
Comparison of equilibrium and nonequilibrium models of a CSTR with total condenser focused on the multiple steady states and
dynamic behaviour was carried out. The steady-state behaviour of the model system, MTBE synthesis from methanol and isobutene
in a reactive distillation column, was studied in terms of the input parameters, i. e. feed flow rate of methanol or butenes, reflux ratio, and mass of catalyst. The dynamic behaviour of the system during the
start-up was investigated and perturbations of manipulated variables were found to cause transitions between the parallel
steady states.
Presented at the 33rd International Conference of the Slovak Society of Chemical Engineering, Tatranské Matliare, 22–26 May
2006. 相似文献
30.
Lucija Jukić Urška Bratušek Marko Škof Jurij Svete Branko Stanovnik 《Chemistry of Heterocyclic Compounds》1996,32(11-12):1295-1299
A novel approach to the synthesis of 3-acylindolizines and the transformations of some acids into tryptophane analogues are described. Reaction of ethyl 2-pyridinylacetate and methyl 2-quinolinylacetate with N-trifluoroacetyl-5-bromo-4-oxonorvaline methylester led to N-trifluoroacetyl-3-(1-ethoxycarbonylindolizinyl-2) alanine methyl ester and N-trifluoroacetyl-3-(3-methoxycarbonylpyrrolo [1,2-a]quinolinyl-2) alanine methyl ester, respectively. Treatment of ethyl 2-pyridinylacetate and 2-pyridinylacetonitrile, first with N,N-dimethylformamide dimethyl acetal (DMFDMA), followed by reaction with phenacyl bromide, gave the corresponding 3-benzoylindolizines, while the reaction of ethyl 2-pyridinylacetate and 2-pyridinylacetonitrile with DMFDMA, followed by treatment with (S)-N-trifluoroacetyl-5-bromo-4-oxonorvaline methyl ester, gave the corresponding N-trifluoroacetyl-4-oxo-4-(indolizinyl-3)homoalanine methyl esters. 相似文献