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1.
2.
We investigate heteroclinic orbits between equilibria and rotating waves for scalar semilinear parabolic reaction-advection-diffusion equations with periodic boundary conditions. Using zero number properties of the solutions and the phase shift equivariance of the equation, we establish a necessary and sufficient condition for the existence of a heteroclinic connection between any pair of hyperbolic equilibria or rotating waves. 相似文献
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The exchange-correlation self-energies and quasiparticle shifts are calculated for band states of covalent materials (diamond, silicon) and their (001) 2×1 surface in order to solve the bulk and surface band-gap problem of the LDA. The screening properties are described by a model dielectric function taking into account the spatial nonlocality in the surface case assuming specular electron reflection. The wave functions are expanded in terms of localized orbitals. The quasiparticle bandstructures obtained are in reasonable agreement with experimental results. 相似文献
7.
H. Fiedler 《Numerische Mathematik》1987,51(5):571-581
Summary Interpolatory quadrature formulae consist in replacing
by
wherep
f
denotes the interpolating polynomial off with respect to a certain knot setX. The remainder
may in many cases be written as
wherem=n resp. (n+1) forn even and odd, respectively. We determine the asymptotic behaviour of the Peano kernelP
X
(t) forn for the quadrature formulae of Filippi, Polya and Clenshaw-Curtis. 相似文献
8.
Abramowicz H Belusevic R Blondel A Blümer H Böckmann P Brummel HD Buchholz P Burkhardt H Debu P Duda J Dydak F Falkenburg B Fiedler M Geiges R Geweniger C Grant AL Guyot C Hagelberg R Hepp V Hughes EW Kampschulte B Keilwerth H Kleinknecht K Knobloch J Krasny M Królikowski J Kurz N Lipniacka A Merlo J Müller E Para A Perez P Perrier F Pollman D Ranjard F Renk B Schuller J Taureg H Tittel K Turlay R Vallage B Wachsmuth H Wotschack J 《Physical review letters》1986,57(3):298-301
9.
The development of an amperometric biosensor for the determination of phenolic compounds is described, using quinoprotein glucose dehydrogenase. The enzyme is integrated into carbon paste and its ability to donate electrons to oxidized phenolic compounds during glucose oxidation is exploited. The sensor response is based on electrochemical oxidation of the phenolic compound followed by its enzymatic regeneration when the bulk solution contains glucose and the electrode is potentiostated at +500 mV (vs. Ag/AgCl/0.1 mol/L KCl). As the result of the catalytic analyte regeneration the electrodes offer very sensitive measurements of redox species like p-aminophenol and hydroquinone and catecholamines such as epinephrine, norepinephrine, and dopamine. The sensor performance is characterized for the different substrates. Highest sensitivity is achieved for p-aminophenol which could be determined at sub-nanomolar level. 相似文献
10.
Sandrine Bouquillon Ulla Létinois-Halbes Jacques Muzart 《Journal of organometallic chemistry》2003,687(2):377-383
The reaction between palladium acetate, (−)-ephedrine and potassium acetate led to bis-chelate complex Pd[OCH(Ph)NH(Me)]2 whose the trans-structure is obtained from calculations. The use of this complex to catalyze either the 1,4-hydrogenation of (E)-2-benzyliden-1-tetralone or Heck reaction of phenyl iodide with 3-methyl-3-buten-2-ol led to a low enantiomeric excess. 相似文献