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21.
A striking size dependence of the mean-square displacement of diffusing particles in the two-dimensional lattice gas of hard squares has been observed by Monte Carlo simulation. It is shown that the size effect is due to the formation of a stable cage structure in small lattices when the particle concentration is high. The formation of cages is governed by a new type of percolation problem related to bootstrap percolation. 相似文献
22.
23.
A. Varinlioĝlu A. Köse U. Çevik A. I. Kopya M. Altunbaş H. Karal 《Journal of Radioanalytical and Nuclear Chemistry》1995,201(1):31-37
Sediment samples collected from the Eastern Black Sea in 1993 from 15 sampling stations of different depths have been analyzed. Natural and artifical radionuclide activity levels in offshore sediment samples from the Eastern Black Sea in Turkey are reported about seven years after the Chernobyl accident. The purpose of this paper is to follow up the earlier study and present results for the distributions of radionuclides in sediments of the Black Sea. 相似文献
24.
A series of P[N-isopropylacrylamide (NIPAM)] latexes with different contents of cyano groups were successfully prepared by either seeded
or shot-growth polymerizations of an aqueous solution containing acrylonitrile (AN) onto a seed P[NIPAM] latex, respectively, and further characterized by FT-IR, 1H-NMR, elemental analysis, as well as by quasielastic light scattering (QELS) and scanning electron microscopy (SEM). All
prepared surface-cyanofunctionalized P[NIPAM] latexes exhibited the same range of lower critical solution temperature (LCST) as a pure P[NIPAM] latex. The shot polymerization process proved more efficient at yielding cyano derivatized latexes than the seeded
polymerization technique. The amount of incorporated cyano groups onto the particles was determined with a good correlation
both by 1H-NMR and elemental analysis. The higher the amount of initially introduced AN monomer in the reaction mixture, the more cyano
groups were incorporated onto the particles. The surface of the particles with high content of cyano groups appeared quite
rough by SEM in comparison with that of the pure P[NIPAM] particles.
Received: 25 February 1998 Accepted: 23 June 1998 相似文献
25.
Adaptive filtering gives simple iterative methods for extracting a useful signal by linearly filtering an observation correlated with this useful signal. When the observation contains past values of the filter output—as is the case for a recursive structure— the adaptive filter is a non linear operator which can generate complex behaviours even though adaptation is a standard derivative of the gradient algorithm. Such behaviours are observed in a particular case : theArma adaptive prediction with a sinusoidal input. A slow adaptation speed involves a quasi-periodic behaviour due to the locally unstable character of the predictor. This phenomenon called selfstabilization persists as the adaptation speed increases. Its study is more complicated : the behaviour becomes chaotic. As an illustration, the digitization of telephone signals throughArma adaptive prediction shows the necessity of controlling the qualitative behaviour of the adaptive filtering solutions. 相似文献
26.
Michelini Mdel C Russo N Alikhani ME Silvi B 《Journal of computational chemistry》2004,25(13):1647-1655
The Density functional theory has been applied to characterize the structural features of Mo(1,2)-NH(3),-C(2)H(4), and -C(2)H(2) compounds. Coordination modes, geometrical structures, and binding energies have been calculated for several spin multiplets. It has been shown that in contrast to the conserved spin cases (Mo(1,2)-NH(3)), the interaction between Mo (or Mo(2)) and C(2)H(4) (or C(2)H(2)) are the low-spin (Mo-C(2)H(4) and -C(2)H(2)) and high-spin (Mo(2)-C(2)H(4) and -C(2)H(2)) complexes. In the ground state of Mo(1,2)-C(2)H(4) and -C(2)H(2), the metal-center always reacts with the C-C center. The spontaneous formation of the global minima is found to be possible due to the crossing between the potential energy surfaces (ground and excited states with respect to the metallic center). The bonding characterization has been performed using the topological analysis of the Electron Localization Function. It has been shown that the most stable electronic structure for a pi-acceptor ligand correlates with a maximum charge transfer from the metal center to the C-C bond of the unsaturated hydrocarbons, resulting in the formation of two new basins located on the carbon atoms (away from hydrogen atoms) and the reduction of the number of attractors of the C-C basin. The interaction between Mo(1,2) and C(2)H(4) (or C(2)H(2)) should be considered as a chemical reaction, which causes the multiplicity change. Contrarily, there is no charge transfer between Mo(1,2) and NH(3), and the partners are bound by an electrostatic interaction. 相似文献
27.
The recently discovered intramolecular aza-xylylene Diels-Alder reaction, based on a 1,4-dehydrohalogenation reaction, was extended in terms of substrates and leaving groups allowing the assembly of tetrahydroquinolines in two synthetic steps. Intramolecular cleavage of a thiocarbamate using triphenylphosphine and tetrachloromethane (Appel conditions) to give chloromethyl phenylisocyanate has been presented for the first time. The synthetic feasibility of this process was demonstrated in the first total syntheses of the alkaloids rac-Angustureine and 1-methyl-2-propyltetrahydroquinoline. 相似文献
28.
Background
Phosphatidylethanol (PEth) is an abnormal phospholipid formed slowly in cell membranes by a transphosphatidylation reaction from phosphatidylcholine in the presence of ethanol and catalyzed by the enzyme phospholipase D. PEth in blood is a promising new marker of ethanol abuse depending on the high specificity and sensitivity of this marker. None of the biological markers used in clinical routine at the present time are sensitive and specific enough for the diagnosis of alcohol abuse. 相似文献29.
Åse Støg»rd 《Chemical physics letters》1975,36(3):357-360
Ab initio as well as semi-empirical SCF MO calculations are presented for ClCN and ONCl. The relative intensities for Cl Kβ emission in the two molecules were calculated. The calculated spectra from the ab initio wavefunctions are in excellent agreement with experiments. 相似文献
30.
The molecular energy of the complex (η5-C5H5)2TiCl2 has been calculated for experimental geometry and for several hypothetical forms by a semi-empirical CNDO/2 approach. The energy difference between experimental (quasi-tetrahedral) geometry and a planar geometry is ca. 20 kcal mol?1. This difference is sufficiently high to explain the difficulty of the inversion process. 相似文献