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21.
22.
We obtain the complete asymptotic expansion of the image functions of Müller’s Gamma operators and of their derivatives. All expansion coefficients are explicitly calculated. Moreover, we study linear combinations of Gamma operators having a better degree of approximation than the operators themselves. Using divided differences we define general classes of linear combinations of which special cases were recently introduced and investigated by other authors. 相似文献
23.
Ivan Horvath Viera Luptakova 《Journal of inclusion phenomena and macrocyclic chemistry》1991,11(3):257-265
Benzothiazolium compounds exhibit pronounced antimicrobial activities and stimulation effects on plant growth. When applied to fields they can pollute soil colloids. In contact with the soil they can potentially interact with a clay fraction giving rise to clay organocomplexes. Model intercalation complexes were prepared using monoionic montmorillonite and a variety of water-soluble benzothia zolium salts. It was found that the adsorption into the silicate interlayer space proceeds via a cation exchange process. Substantial differences were observed in the extent of the reaction between non-substituted andN-substituted species. The sulphur atoms present in the benzothiazolium molecules repel the surface oxygen atom: this is considered to be the factor responsible for prevention of insertion of the guest cations perpendicular to the layers. 相似文献
24.
Marijana ?aković Zora Popović 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(11):m507-m509
In the title compound, [Ni(N3)2(C6H6N2O)2], the NiII atom lies on an inversion centre. The distorted octahedral nickel(II) coordination environment contains two planar trans-related N,O-chelating picolinamide ligands in one plane and two monodentate azide ligands perpendicular to this plane. Molecules are linked into a three-dimensional framework by N—H...N hydrogen bonds. 相似文献
25.
Ivica ?ilovi Dubravka Matkovi‐alogovi Ivan Kos Mladen Biru Milena Jadrijevi‐Mladar Taka
《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):o45-o47
In the crystal structures of two cyclic trihydroxamic acid derivatives containing the same substructure unit, viz. 1,3,5‐trihydroxy‐1,3,5‐triazinane‐2,4,6‐trione dihydrate, C3H3N3O6·2H2O, (I), and 1,3,5‐benzyloxy‐1,3,5‐triazinane‐2,4,6‐trione, C24H21N3O6, (II), there is no significant difference in the geometric parameters. In (I), there are 11 hydrogen bonds of the O—H⋯O type interconnecting the molecules in a three‐dimensional network, while in (II) there are only two weak C—H⋯O hydrogen bonds. The results of IR spectroscopic analysis are in good agreement with the crystallographic study. 相似文献
26.
A separation of the vibrational-electronic Hamiltonian in crude representation is presented. The separation is done in the following way: first we quantize only the electronic states on the unperturbed Hamiltonian level, then using the perturbation theory, we treat the terms where we have electronic operators to obtain new harmonic potential energy. Then we quantize a-posteriori the nuclear motion and as a result the only perturbation term is due to anharmonicity. 相似文献
27.
Miodrag M. Spalević 《Numerical Algorithms》2007,46(3):253-264
We have recently proposed a very simple numerical method for constructing the averaged Gaussian quadrature formulas. These
formulas exist in many more cases than the real positive Gauss–Kronrod formulas. In this note we try to answer whether the
averaged Gaussian formulas are an adequate alternative to the corresponding Gauss–Kronrod quadrature formulas, to estimate
the remainder term of a Gaussian rule. 相似文献
28.
We consider a four-dimensional generalization of Hess–Appel’rot system and costruct its Lax pair. Both classical and algebro-geometric integration procedure are proceeded. The algebro-geometric integration is based on deep facts from geometry of Prym varieties such as the Mumford relation and Mumford-Dalalyan theory. The integration is similar to the integration of Lagrange bitop which has recetly been performed by the authors. 相似文献
29.
Ivan Gutman Sabina Gojak Niko Radulovi? Boris Furtula 《Monatshefte für Chemie / Chemical Monthly》2006,46(2):277-284
In a recent work it was demonstrated that in linear hexagonal chains the distribution of π-electrons into rings (as computed
by means of the Randić–Balaban method) is uniform, irrespective of the nature of the terminal fragments. We now establish that an analogous, yet somewhat
more complex, uniformity in the π-electron distribution exists also in double linear hexagonal chains, as well as in some
other benzenoid systems. 相似文献
30.
Monoclinic (N2H6)3Zr2F13·F crystallizes in space group P21-C
2
2
(No. 4) with unit cell dimensionsa=5.670(1),b=10.984(2),c=10.601(2) Å,=93.88(1)°,V=658.7(4) Å3 andZ=2. Two different types of N2H6
2+ ions are present. One is involved in strong H-bonds to F– ions in infinite chains running along the a axis (the shortest N-F distance is 2.437(5) Å), and the other links the structure through weaker bi- and trifurcated H-bonds to fluorine ligands of the Zr2F13
5– ions. The N-N bond lengths range from 1.430(5) to 1.446(5) Å with apparently no meaningful correlation to the type of N2H2
2+ ions. The Zr2F13
5– ions have very nearly C2 point symmetry and are formed by joining two distorted bicapped trigonal prisms of ZrF8-units through a common face. Distances of Zr-F terminal bonds range from 2.015(2) to 2.112(2) Å and of bridging bonds from 2.133(2) to 2.212(2) Å. (N2H6)3Hf2F13·F is isomorphous. The vibrational spectra of the two compounds are nearly identical, with the exception of a strong infrared band, which is assigned to a stretching mode with the moving central atom within the anion. The anion part of the spectrum is simple, showing broad unresolved bands. The cation part shows two types of N2H6
– ions. H-Bonding is strongly present in the spectra, but no simple correlations with the H-bond strength is evident. 相似文献