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  • crystal structure  (60)
  • stability  (58)
  • Springer  (118)
  • Berlin-Brandenburgische Akademie der Wissenschaften
  • Cell Press
  • Förderverein Akademie 2. Lebenshälfte im Land Brandenburg
  • 2000-2004  (118)
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  • Springer  (118)
  • Berlin-Brandenburgische Akademie der Wissenschaften
  • Cell Press
  • Förderverein Akademie 2. Lebenshälfte im Land Brandenburg
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  • 1
    Digitale Medien
    Digitale Medien
    Springer
    Circuits, systems and signal processing 19 (2000), S. 423-435 
    ISSN: 1531-5878
    Schlagwort(e): Time-varying autoregressive models ; stability ; smoothness priors ; Tihkonov regularization ; constrained optimization
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Elektrotechnik, Elektronik, Nachrichtentechnik
    Notizen: Abstract The stability of time-varying autoregressive (AR) models is an important issue in such applications as time-varying spectrum estimation and electroencephalography simulation and estimation. In some cases, such as time-varying spectrum estimation, the models that exhibit roots near unit moduli are difficult to use. Thus a tighter stability condition such as stability with a positive margin is needed. A time-varying AR model is stable with a positive margin if the moduli of the roots of the time-varying characteristic polynomial are somewhat less than unity for every time instant. Recently, a new method for the estimation of the time-varying AR models was introduced. This method is based on the interpretation of the underdetermined time-varying prediction equations as an ill-posed inverse problem that is solved by Tikhonov regularization. The method is referred to as the deterministic regression smoothness priors (DRSP) scheme. In this paper, a stabilization method in which the DRSP scheme is augmented with nonlinear stability constrainst is proposed. The problem is formulated so that stability with a positive margin can also be achieved. The problem is solved iteratively with an exterior point algorithm. The performance of the algorithm is studied with a simulation. It is shown that the proposed approach is well suited to stable modeling of signals containing narrowband transitions.
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  • 2
    Digitale Medien
    Digitale Medien
    Springer
    Circuits, systems and signal processing 19 (2000), S. 13-25 
    ISSN: 1531-5878
    Schlagwort(e): Singular systems ; delay ; consistency condition ; stability ; instability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Elektrotechnik, Elektronik, Nachrichtentechnik
    Notizen: Abstract In this paper, the general class of singular systems with delay and linear constant coefficient singular systems with delay are discussed. First, several definitions of stability are presented for singular systems with delay, and general sufficient stability conditions and instability conditions are obtained. Second, stability and instability are analyzed for linear constant coefficient singular systems with delay.
    Materialart: Digitale Medien
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  • 3
    Digitale Medien
    Digitale Medien
    Springer
    Acta biotheoretica 48 (2000), S. 207-218 
    ISSN: 1572-8358
    Schlagwort(e): Dynamical population ; fishing efforts ; metapopulation ; time scales ; aggregation method ; equilibrium ; stability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Biologie
    Notizen: Abstract This work presents a specific stock-effort dynamical model. The stocks correspond to two populations of fish moving and growing between two fishery zones. They are harvested by two different fleets. The effort represents the number of fishing boats of the two fleets that operate in the two fishing zones. The bioeconomical model is a set of four ODE's governing the fishing efforts and the stocks in the two fishing areas. Furthermore, the migration of the fish between the two patches is assumed to be faster than the growth of the harvested stock. The displacement of the fleets is also faster than the variation in the number of fishing boats resulting from the investment of the fishing income. So, there are two time scales: a fast one corresponding to the migration between the two patches, and a slow time scale corresponding to growth. We use aggregation methods that allow us to reduce the dimension of the model and to obtain an aggregated model for the total fishing effort and fish stock of the two fishing zones. The mathematical analysis of the model is shown. Under some conditions, we obtain a stable equilibrium, which is a desired situation, as it leads to a sustainable harvesting equilibrium, keeping the stock at exploitable densities.
    Materialart: Digitale Medien
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  • 4
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 7-10 
    ISSN: 1572-8854
    Schlagwort(e): crystal structure ; uranium (IV) ; dichlorophenoxide
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The reaction of UCl4 with KO-2,6-Cl2C6H3 in tetrahydrofuran results in the preparation of the title compound. The six-coordinate complex possesses pseudo-octahedral geometry about uranium, with U-O(phenoxide) bond lengths in the range 2.161(11) to 2.178(10) Å and U-O(THF) bond lengths of 2.467(10) and 2.475(11) Å. This complex crystallizes in the monoclinic space group P21/n (a = 11.169(2), b = 11.588(2), c = 35.119(5) Å, β = 92.11(1)°, V = 4542.2(13) Å3, and Z = 4).
    Materialart: Digitale Medien
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  • 5
    ISSN: 1572-8854
    Schlagwort(e): iron ; crystal structure ; synthesis ; N-methylimidazole
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The compound [Fe(C4H6N2)6][C5H4NSO3]2 crystallized in the monoclinic space group, P21/n with unit cell parameters: a = 13.676(3), b = 8.345(2), c = 18.663(4) Å, β = 106.40(3)° and Z = 2. The title compound consists of a [Fe(C4H6N2)6]+2 hexacoordinated iron(II) cation and two C5H4NSO− 3 anions. In the cation the iron atom is coordinated to six N-methylimidazole imine nitrogen atoms in a distorted octahedral arrangement. The N1,N5,N1i,N5i atoms are coplanar and the iron lies in this plane.
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  • 6
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 35-38 
    ISSN: 1572-8854
    Schlagwort(e): copper(II) ; aminoalcoholato ; hydrogen bonding ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The copper complex, [Cu2(II)(dmpa)2(p-Cl-C6H5COO)2], has been prepared and its structure determined using X-ray crystallography. The dimer is a di-μ2-alkoxo complex which is a five-coordinate copper dimer with unsupported alkoxo bridges. The complex crystallizes in the triclinic space group P-1 with a = 11.384(2), b = 14.636(5), c = 9.609(2) Å, α = 100.07(2), β = 104.33(3), γ = 72.79(2)°, V = 1471.8(7) Å3, and Z = 2. The structure is comprised of discrete binuclear clusters in which the metal atoms are bridged by two alkoxo oxygens of the dmpa− ligands. The Cu-O and Cu-N distances are in good agreement with those found for other copper(II) aminoalcoholato complexes. The Cu···Cu distance is 2.9765(6) Å. In the crystal, every two dimeric coordination molecules are combined together by the recognition through intermolecular hydrogen-bonding interactions between the apical water molecule and the non-coordinated O atom from the p-chlorobenzoato ligand, forminga tetramer.
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  • 7
    ISSN: 1572-8854
    Schlagwort(e): manganese(III) ; Schiff base ; hydrogen bonding ; crystal structure ; Jahn-Teller distortion
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The manganese complex, [Mn(III)(Hvanpa)2]N3 has been prepared and the crystal structure determined using x-ray crystallography. The mononuclear complex has a six-coordinate octahedral geometry. The complex crystallizes in the monoclinic space group P21/c with a = 9.867(1), b = 13.316(2), c = 9.0110(1) Å, β = 107.870(1)°, V = 1126.8(2) Å3, and Z = 2. The Mn-O and Mn-N distances in the equatorial plane are in good agreement with those found for other manganese(III) Schiff base complexes. In the axial direction, the Mn-O distances of 2.274(2) Å is about 0.3 Å longer than those in the equatorial plane due to a Jahn-Teller distortion at the d4 manganese(III) center. In the crystal, each azido ion is linked through hydrogen bonding with two hydrogen atoms from the coordinate hydroxyl groups at the apical site.
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  • 8
    ISSN: 1572-8854
    Schlagwort(e): molybodophosphoric acid ; crystal structure ; diethylamine
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract An intermolecular compound, H3PMo12O40·5(CH3CH2)2NH·H2O, between the heteropolymolybdate α-H3PMo12O40 and the organic substrate diethylamine, has been synthesized and characterized. Light yellow crystals of the title compound were crystallized from a mixed solvent of water and acetonitrile with formula H3PMo12O40·5(CH3CH2)2NH·H2O. Spectroscopic data support the presence of a sizable electronic interaction between the organic substrate and the inorganic anion in the solid state. The single crystal x-ray structure analysis of the title compound revealed that it crystallized in the triclinic system, space group P $$\overline 1$$ with a = 12.0786(13), b = 12.102(5), c = 21.416(3) Å, α = 94.87(2), β = 94.755(9), γ = 113.81(2)°, V = 2830.3(13) Å3, and Z = 2.
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  • 9
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 53-53 
    ISSN: 1572-8854
    Schlagwort(e): boroantimonate ; borate ; antimonate ; crystal structure ; 49
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract K3Sb4BO13, Mr = 823.11 g.mol−1, crystallizes in the triclinic system, space group P $$\overline 1$$ , Z = 2. The lattice parameters are a = 7.133(1) Å, b = 7.232(1) Å, c = 13.259(2) Å, α = 82.00 (1)°, β = 99.77(1)° and γ = 117.08(1)°, V = 598.7(2) Å3, Dx = 4.566 Mg m−3. The final R index and weighted Rw index are 0.0251 and 0.0623, respectively. The three-dimensional network of the title compound is constituted by layers (Sb3O9)n, similar to that of hexagonal bronze of Magneli. These layers are linked together, in the c direction, alternatively by edge-sharing pairs of SbO6 octahedra and BO3 triangles. This framework has interconnected tunnels, running approximately along the a and b directions, in which the K+ ions are located.
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  • 10
    ISSN: 1572-8854
    Schlagwort(e): brassinosteroids ; steroids ; natural products ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The compound (25R)-2α,3α-epoxy-5α-spirostan-6,23-dione, crystallizes as a hemi-ethyl acetate solvate, having two host molecules of similar conformation per molecule of ethyl acetate, in the asymmetric unit. The O atom of the epoxy group is α-oriented. The presence of the epoxy group disturbs the chair conformation in the ring A of the steroidal nucleus. Ring A has a C5α,C10β half-chair conformation. The six-membered rings B, C, and F have chair conformation as expected. The D ring adopts a C14α-envelope conformation and the E ring is midway between a C22α,O3β half-chair and a C22α-envelope conformations. The A/B, B/C, and C/D ring junctions are trans. Crystal data: C27H38O5·1/2C4H8O2, Monoclinic, space group P21, a = 7.7363(18) b = 28.769(12) c = 12.038(6) Å, β = 90.88(5), V = 2679.0(10) Å3, Z = 4. The packing of the molecules is assumed to be dictated by van der Waals interactions and by intermolecular C—H ··· O hydrogen bonds.
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  • 11
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 767-771 
    ISSN: 1572-8854
    Schlagwort(e): saccharin ; monoethanolamine ; nickel(II) complex ; hydrogen bonding ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal structure of trans-bis(monoethanolamine)bis(saccharinato)nickel(II), [Ni(C7H4NO3S)2(C2H7NO)2], has been determined from X-ray diffraction data. The metal complex is monoclinic, with a = 11.0555(5), b = 8.9103(4), c = 11.3890(5) Å, β = 105.0230(10)°, Z = 2, and space group P21/c . The structure consists of individual molecules. Two monoethanolamine molecules and two saccharinate anions coordinate the nickel atom forming a distorted octahedron. The monoethanolamine molecules act as a bidentate ligand and form five-membered trans chelate rings, which constitute the plane of the coordination octahedron, while two saccharinate ions behave as a monodentate ligand occupying the axial positions. Intermolecular hydrogen bonds link the molecules to form a three-dimensional infinite structure.
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  • 12
    ISSN: 1572-8862
    Schlagwort(e): copper telluride clusters ; copper telluro-tellurolato clusters ; crystal structure ; influence of phosphine ligands ; Frank-Kasper polyhedron
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau , Physik
    Notizen: Abstract The reactions of CuCl and tBuTeSiMe3 in the presence of phosphine ligands result in the formation of four new Cu/Te cluster complexes, [Cu18Te6(TetBu)6(PPh2Et)7], [Cu19Te6(TetBu)7(PEt3)8], [Cu27Te15(PiPr2Me)12] and [Cu58Te32(PtBu2 nBu)14], which have been structurally characterized by single crystal structural analysis. The former two clusters show a layer-type tellurium frameworks in which the copper atoms are asymmetrically spread. The latter two clusters possess a tellurium framework in a body-centered Te14-Frank-Kasper polyhedron or a Te28 polyhedron with four interstitial tellurium atoms and belong to mixed-valence Cu/Te compounds.
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  • 13
    ISSN: 1572-8862
    Schlagwort(e): gold ; osmium ; cluster ; carbonyl ; phosphine ; heteronuclear ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau , Physik
    Notizen: Abstract The reaction of the di-gold cation [Au2(dppx)]2+ with the heptanuclear cluster dianion [Os7(CO)20]2− affords the mixed metal cluster [Os7(CO)20{Au2(dppx)}] (x=m (1), e (2), b (3)). On standing, in solution, this complex undergoes decarbonylation to give the cluster [Os7(CO)19{Au2(dppx)}] (x=m (4), e (5), b (6)). The complexes have been characterised spectroscopically, and an X-ray structure determination of the dppm derivative shows that it contains a metal core based on an Os7 edge-bridged bicapped tetrahedron with the two μ 3-Au atoms capping adjacent triangular Os3 faces of the central tetrahedron. In an analogous reaction, the carbido anion [Os7(H)C(CO)19]− affords the neutral cluster [Os7C(CO)19{Au2(dppm)}] (7) when treated with [Au2(dppm)]2+ in the presence of base.
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  • 14
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 589-592 
    ISSN: 1572-8854
    Schlagwort(e): Phenylcyclopentaneacetate derivative ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The title compound crystallizes in space group P21/n, with a = 14.600(2), b = 7.091(2), c = 18.211(5) Å, and β = 103.67(2)°. Owing to the centric space group, both C(1) and C(3) chiral centers are either R or S. The acetate group is equatorial, the H(1) and the methyl group at C(3) are axial and reciprocally trans.
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  • 15
    ISSN: 1572-8854
    Schlagwort(e): crystal structure ; asymmetric synthesis ; spiro-cyclopropane derivatives
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Crystal structure of C41H53O7Br has been determined by single-crystal X-ray diffraction. The compound crystalline in the orthorhombic space group P212121, with a = 11.264(2), b = 12.058(2), c = 29.337(6) Å, Z = 4. The bond angles of cyclopropane moiety in the molecule are approximate to 60° and agree with theoretic values of the internal angles in a cyclopropane, and two chiral menthyloxy groups are located above and under the whole chiral molecule, respectively. The configuration of the pentacyclic lactone is shown as envelope form.
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  • 16
    Digitale Medien
    Digitale Medien
    Springer
    Journal of cluster science 11 (2000), S. 39-53 
    ISSN: 1572-8862
    Schlagwort(e): thermal motion ; crystal structure ; rhodium carbonyl
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau , Physik
    Notizen: Abstract The structure of Rh4(CO)12 (1) has been redetermined at room temperature and at 173 K. Crystallographic data for 1 at 293 K are as follows: C12O12Rh4, space group P21/c, a=9.209(3), b=11.790(7), c=17.721(8) Å, β=90.46(3)°, V=1924.0(16) Å3, Z=4, 5570 reflections to θ=30.0°, and R=0.030. For 1 at 173 K the data are as follows: space group P21/c, a=9.127(3), b=11.672(6), c=17.492(13) Å, β=90.64(5)°, V=1863.3(18) Å3, Z=4, 3782 reflections to θ=26.3°, and R=0.033. There was no detectable phase change on cooling to 173 K. Crystals of 1 are twinned by pseudo-merohedry, but a satisfactory refinement was obtained by assuming a (100) twinning mirror plane. TLS analysis of the anisotropic displacement parameters at both temperatures has been undertaken. Investigation of the mean square displacement difference between the observed and the rigid body displacement parameters reveals there is a signficant internal motion of the carbonyl ligands relative to the metal skeleton. This motion is consistent with a normal mode or modes of C 3 symmetry.
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  • 17
    Digitale Medien
    Digitale Medien
    Springer
    Journal of cluster science 11 (2000), S. 87-94 
    ISSN: 1572-8862
    Schlagwort(e): nickel cluster ; fluorinated formamidine ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau , Physik
    Notizen: Abstract When a THF solution made from equimolar amounts of methyllithium and N,N′-bispentafluorophenyl formamidine, C6F5NC(H)N(H)C6F5, was added to a suspension of NiCl2 in THF and the mixture refluxed for 12 h, a bright yellow-green solution was formed, from which a bright green crystalline compound was obtained in 〉60% yield upon partial evaporation of the solvent. This compound, Li14(THF)8[Ni7Cl17(μ-formamidinate)3(μ-Cl)]2·9.4THF, crystallizes in the tetragonal space group P4 2/mnm (No. 136) with Z=2. The core consists of two Ni7 units bridged by two Cl atoms.
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  • 18
    ISSN: 1572-8862
    Schlagwort(e): crystal structure ; vanadium oxide ; organic template ; mixed valence
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau , Physik
    Notizen: Abstract The synthesis and crystal structures of [H3NCH2CH2NH3][V2O6] (1) and [HN(CH2CH2)3NH][VV 2VIV 4O14]·H2O (2) are described. The structure of the oxidized compound 1 consists of parallel stacks of vanadium oxide chains of corner sharing {VO4} tetrahedra. The chains are stabilized by extensive hydrogen bonding involving oxide ligands of the chains and ethylenediammonium ions which fill the space between the stacks of chains. The structure of compound 2 consists of vanadium oxide layers separated by doubly protonated 1,4-diazabicyclo[2.2.2]octane and lattice water. The vanadium oxide layers, containing mixed-valence vanadium (VV and VIV) centers, are composed of zigzag ribbons of edge-sharing {VO5} square pyramids interconnected by {VO4} tetrahedra. Crystal data. C2H10N2O6V2 , 1: monoclinic, space group P21/c (No. 14), a=5.5359(5), b=12.9430(12), c=5.6856(5) Å, α=90, β=97.460(2), γ=90°, V=403.93(6) Å3, Z=2. A total of 2506 reflections (θ max=27.89°) was collected, of which 954 were used to resolve the structure. The structure was solved by direct methods and least-squares refinement converged at R=0.0592. C6H16N2O15V6, 2: monoclinic, space group C2 (No. 5), a=19.303(4), b=6.667(2), c=7.579(2) Å, α=90, β=111.31(2), γ=90°, V=908.4(4) Å3, Z=2. A total of 1779 reflections was collected, of which 1591 unique reflections were used for structural elucidation. The structure was solved by direct methods and least-squares refinement converged at R=0.0314.
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  • 19
    ISSN: 1572-8854
    Schlagwort(e): THBMBM ; BPB ; crystal structure ; helical packing ; columnar packing ; mesophase transition
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The structures of the title compounds, tris(2-hydroxy-3-t-butyl-5-methylbenzene)-methane)C34H46O3.3H2O, 3) and N-benzyl-N-phenylbenzamide (C20H17NO, 6), have been investigated by X-ray crystallography. Compound 3 crystallizes in the trigonal space group $$P\bar 3 $$ with cell parameters a = 14.090(5) Å, b = 14.090(5)Å, c = 10.485(5)Å, Z = 2. Compound 6 crystallizes in the monoclinic space group C2/c with cell parameters a = 24.533(4)Å, b = 9.176(4)Å, c = 16.711(5)Å, β = 125.88(2)°, Z = 8. Compound 3 has both intra-and intermolecular hydrogen bonds. It also exhibits a helical columnar arrangement of the molecules and goes into mesophase before melting into an isotropic liquid.
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  • 20
    ISSN: 1572-8854
    Schlagwort(e): Triazole ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The 4-(p-methoxyphenyl)-3,5-bis(4-pyridyl)-1,2,4-triazole has been synthesized and its crystal structure has been determined by X-ray diffraction methods. It crystallizes in the monoclinic space group P21/n, with a = 12.5832(6) Å, b = 7.0512(5) Å, c = 18.4669(12) Å, β = 96.826(1)°, and Dcalc = 1.345 g cm−1 for Z = 4. In the structure, two pyridyl rings, phenyl ring, and triazole ring do not share a common plane. The most favored orientation of the pyridyl rings in the crystal is that their planes are inclined toward opposite directions with respect to the triazole ring.
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  • 21
    ISSN: 1572-8854
    Schlagwort(e): 2,2′-Bipyrimidine ; low-spin ; iron ; crystal structure ; infrared
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The compound [Fe(bipym)33](CF3SO3)2 (in which bipym = 2,2′-bipyrimidine) crystallizes in the space group P21/c, with a = 13.7641(11), b = 18.7557(19), c = 12.3627(11) Å, β = 103.085(8)° and Z = 4. The low-spin Fe(II) atom is octahedrally surrounded by six nitrogen atoms of three bipyrimidine groups with Fe—N distances that vary from 1.968(4) to 1.975(4) å. In the far-infrared region the Fe—N vibrations are observed at 359 and 372 cm-1.
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  • 22
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 483-487 
    ISSN: 1572-8854
    Schlagwort(e): Bis(guanidiniums) ; sulfate anion ; hydrogen bond ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Crystal structure of a novel bis(guanidiniums) compound 1 by sulfate anion and water, C11H20N6OċSO4ċH2O, was measured by X-ray crystallographic analysis with an “imaging plate” method. It possesses space group P21/c, with a = 7.6433(15), b = 19.447(4), c = 12.115(2) Å, β = 107.81(3)°, and φcalc = 1.420 mg/m3 for Z = 4. Crystal data indicate that the architecture network is formed through hydrogen bonds, electrostatic interactions, and arene–arene stacking interaction among the bis(guanidiniums) compound, the sulfate anion and water molecule.
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  • 23
    ISSN: 1572-8854
    Schlagwort(e): Bis[chloro-2-(2-hydroxy-4,5-dimethylphenylazo)-5,5-dimethyl-4,5,6,7-tetrahydrobenzothiazol-7-on]copper(II) ; thiazolylazo dye ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal structure of C17H18ClCuN3O2S (M = 854.78, monoclinic, P21/c, a = 8.316(2), b = 18.461(4), c = 11.774(2) Å, β = 99.64(3)°, V = 1782.0(7) Å3, Z = 4) is formed by dimeric molecules [C17H18ClCuN3O2S]2 with two monomeric units linked together by two chlorine atoms. The Cu atom is coordinated by two chlorine atoms, an oxygen atom, the azo nitrogen atom attached to the benzene ring, and the nitrogen atom of the thiazole ring, in the form of a distorted tetragonal pyramid.
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  • 24
    ISSN: 1572-8854
    Schlagwort(e): 1,5-Diazacyclooctane (DACO) ; crystal structure ; boat/chair configuration
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The diprotonated perchlorate salt of a new 1,5-diazacyclooctane (DACO) mesocycle functionalized by two imidazole pendants, N,N′-bis(1-methylimidazole-2-methyl)-1,5-diazacyclo-octane (C16H28N6Cl2O8), has been synthesized and the structure determined by X-ray diffraction analysis. The title compound crystallizes in the monoclinic system, space group P21/c with a = 11.964(2), b = 13.251(3), c = 14.741(3) Å, β = 106.00(3)°, Mr = 503.34, V = 2246(1) Å3, Z = 4. The crystal structure of the title compound reveals that the DACO ring is also folded up into the “chair/boat” configuration, which is consistent with the configuration in most of the transition metal complexes of DACO and its derivatives. The two imidazole pendants of the compound are in cis position with a dihedral angle of 16.0(4)°.
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  • 25
    ISSN: 1572-8854
    Schlagwort(e): Iron(II) ; o-phenanthroline ; saccharinate ; crystal structure ; spectroscopic properties ; thermal behavior
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal and molecular structure of the title compound, for short [Fe(o-phen)3](sac)2·(Hsac)·6H2O, has been determined by X-ray diffraction methods. It crystallizes in the monoclinic space group P21/n with a = 16.3190(1), b = 19.2890(1), c = 17.4490(2) Å, β = 92.586(1)°, V = 5486.95(8) Å3 and, Z = 4. The investigated compound constitutes the first example of a species in which uncoordinated saccharin and saccharinate anions are present in the structure. The crystallographic results reveal the subtle differences between the structure of the neutral molecule and its anion. The complex was also characterized by means of infrared, electronic, and 57Fe-Mössbauer spectroscopy. Its magnetic susceptibility was determined at room temperature and its thermal behavior investigated by means of thermogravimetric and differential thermal analytical techniques.
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  • 26
    ISSN: 1572-8854
    Schlagwort(e): Oxonium ions ; crystal structure ; molybdophosphate ; crown ether
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract [(H3O)(C14H20O5)2][Me2NH2]2 [PMo12O40] · 2C14H20O5 1 was synthesized from benzo-15-crown-5 and H3PMo12O40·24H2O in N,N′-dimethylformamide for the first time. 1 crystallizes in the monoclinic space group C2/c with a = 18.583(4), b = 25.510(5), c = 19.904(4) Å, β = 94.66(3)° D c = 2.124 mg/m3 for Z = 4. Refinement based on 7358 observed reflections led to a R1(wR2) = 0.0378(0.0761). The complex cation, [(H3O)(C14H20O5)2]+, exhibits a sandwich structure by hydrogen-bonding in the mean distance of 2.955 Å. The anion, PMo12O40 3−, is a α-Keggin structure.
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  • 27
    ISSN: 1572-8854
    Schlagwort(e): azido ; crystal structure ; copper(II) ; infrared ; polymeric
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The title compound, catena-[bis(azido-N)-copper(II)-μ(bis(2-benzimidazolyl)butane), [Cu(C18H18N4)(N3)2]n, was obtained from the reaction of the ligand bis(2-benzimidazolyl)butane and Cu(N3)2. The x-ray crystal structure is reported. The compound crystallizes in the monoclinic space group P21/c with a = 8.2524(10), b = 12.765(5), c = 9.1125(15) Å, β = 106.423(12)°, Z = 2. The Cu(II) ions are square-planar coordinated with trans-oriented end-on binding azido ligands. The structure is a polynuclear chain with the benzimidazole bridging at each end. In addition a N(ligand)-H···N(azido) H-bridge [N(ligand)···N(azido) = 2.994(7) Å] is present, resulting in a pseudo 2-dimensional lattice. The characteristic azido infrared vibrations are found at 2060 and 2077 cm−1 (νas(N3)) and 1284 and 1297 cm−1 (ν(N3)).
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  • 28
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 633-639 
    ISSN: 1572-8854
    Schlagwort(e): Lanthanide ; oxalate ; glutarate ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract A terbium complex associating two ligands, oxalate and glutarate, was prepared under hydrothermal conditions at 200°C by treating an aqueous suspension of terbium oxalate decahydrate with glutaric acid and guanidinium carbonate. Its structure was solved by X-ray diffraction on a single crystal. It crystallizes in the monoclinic space group P21 with lattice constants, a = 9.514(1) Å, b = 9.0681(8) Å, c = 19.702(2) Å, and β = 97.90(1)°. The terbium atoms and the oxalate ligands build dense chains which are connected by one side of the carboxylic group of some glutarate ligands, thus forming a sheet at the c level ≅ 0 and 1/2. These sheets are bridged by glutarate groups. The terbium atoms are ninefold coordinate with nine oxygen atoms of the ligands or with one water molecule and eight oxygen atoms of the ligands. Each polyhedron of the terbium atoms share one edge and one face of oxygen atoms with the two neighboring ones. The oxalate ligands are bischelating and bismonodentate. The coordination scheme of glutarate differs: either they are bismonodentate from one side and chelating and monodentate from the other side or they are chelating and monodentate from both sides.
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  • 29
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 777-782 
    ISSN: 1572-8854
    Schlagwort(e): terbium complex ; holmium complex ; crystal structure ; trans-2,3-dimethylacrylic acid
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Novel dinuclear complexes, [REL3(phen)]2 (where RE = Tb, Ho; HL = trans-2,3-dimethylacrylic acid; phen = 1,10-phenantheoline), were synthesized and determined by elemental analysis, infrared absorption spectra (IR), thermogravimetric analysis (TGA), and X-ray diffraction. The Tb complex crystallizes in space group P21/n with the cell dimensions a = 12.939(2) Å, b = 13.018(2) Å, c = 15.400(3) Å and β = 94.72(1)°. The Ho complex crystallizes in P (9) with a = 12.406(3) Å, b = 13.280(3) Å, c = 9.823(2) Å, α = 110.80(2)°, β = 103.42(2)°, γ = 63.67(1)°. The Tb atom is nine coordinate and the separation of Tb...Tb* is 3.97 Å. The Ho atom is eight coordinate and the separation of Ho...Ho* is 4.01 Å.
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  • 30
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 789-792 
    ISSN: 1572-8854
    Schlagwort(e): crystal structure ; pyrazolide
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The title compound 1-(1′,3′-dimethyl-5′-chloropyrazol-4′-carbonyl)-3-(2′-chlorophenyl)-5-amino-4-cyanopyrazole (C16H12Cl2N6O) has been synthesized and characterized by X-ray diffraction: Triclinic, space group P1, with a = 8.6712(8) Å, b = 9.5091(10) Å, c = 11.2170(11) Å α = 71.531(2)°, β = 84.683(2)°, γ = 74.099(2)° Z = 2; V = 843.7(14) Å3. C(10), O(1), C(11), and N(2) atoms are coplanar with the average deviation of 0.0071 Å, which form 11.03° and 43.93° dihedral angles with pyrazole planes (I) and (II), respectively.
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  • 31
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 805-809 
    ISSN: 1572-8854
    Schlagwort(e): organic phosphate ; crystal structure ; DTA/TG/DSC ; IR spectra
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Chemical preparation, calorimetric studies, crystal structure, and IR spectrometric investigation of (C2H5N4)2HPO4, denoted ATZP, are described. The compound crystallizes in the monoclinic system with C2/c space group. Its unit cell dimensions are a = 13.589(2) Å b = 11.105(2) Å c = 15.734(3) Å β = 104.68(2)°, V = 2296.8(7) Å3, and Z = 8. The structure of the title compound consists of a three dimensional network of H-bonds connecting all its components. The IR spectrum of ATZP is reported and discussed on the basis of group theoretical analysis.
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  • 32
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 181-184 
    ISSN: 1572-8854
    Schlagwort(e): tungsten(II) ; diiodo ; dicarbonyl ; triisopropylphosphite ; 3-hexyne ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract [WI2(CO)2{P(OiPr)3}(η2-EtC2Et)] crystallizes in the monoclinic space group P21/n, with a = 11.101(12), b = 16.272(18), c = 14.892(17) Å, β = 93.27(1), Z = 4. The geometry can be considered to be pseudo-octahedral, with the 3-hexyne ligand occupying one site, with two iodo-groups, and the P(OiPr)3 ligand completing the equational plane of ligands, with two trans-carbonyl groups occupying the axial sites.
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  • 33
    ISSN: 1572-8854
    Schlagwort(e): crystal structure ; AM1 ; x-ray diffraction ; Meldrum's acid
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The synthesis and structural characterization of two 5-Arylidene derivatives of Meldrum's acid (2,2-dimethyl-1,3-dioxane-4,6-dione) are described: 5-(4-Nitrobenciliden)-2,2-dimethyl-1,3-dioxane-4,6-dione (3a), and 5-(4-Methoxybenciliden)-2,2-dimethyl-1,3-dioxane-4,6-dione (3b). The structure of 3a was refined to R1 = 0.0421 for 2148 reflections (with I 〉 2σ (I)). Crystal data for 3a: C13H11NO6, orthorhombic, space group Pbca, a = 16.008(3), b = 6.137(1), c = 25.281(5) Å, V = 2483.6(8) Å3, Z = 8. The structure of 3b was refined to R1 = 0.0496 for 4681 reflections (with I 〉 2σ(I)). Crystal data for 3b: C14H14O5, triclinic, space group P1, a = 9.131(2), b = 9.922(2), c = 14.490(3)Å, α = 85.076(6), β = 84.80(3), γ = 89.37(2)°,V = 1302.4(5) Å3, Z = 4. The results of crystallographic and molecular modeling (AM1) were compared. The molecules in the crystal are held together, in both compounds, by van der Waals forces and C—H···O hydrogen bond interactions.
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  • 34
    ISSN: 1572-8854
    Schlagwort(e): neoabietic acid ; amino(methyl)pyridine ; crystal structure ; molecular recognition ; H-bonding ; rosin acid
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Neoabietic acid has been separated from gum rosin mixture by the aid of molecular recognition using 2-amino-6-methyl-pyridine as recognition reagent. The complex of neoabietic acid with 2-amino-6-methy-pyridine crystallizes from ether solution in the monoclinic, space group P21 with cell parameters of a = 7.370(1), b = 8.692(1), c = 18.365(2) Å, β = 92.53(1)°,V = 1175.3(2) Å3 and Z = 2. X-ray structure analysis shows that an extensive H-bonding network exists between neoabietic acid and amino(methyl)pyridine, which is considered as one of the factors resulting in successfully separating the neoabietic acid from the gum rosin mixture.
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  • 35
    ISSN: 1572-8854
    Schlagwort(e): phosphine ; nickel(II) complexes ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The title compound dichlorobis(tribenzylphosphine)nickel(II), Ni[P(CH2C6H5)3]2Cl2, belongs to a type of tertiary phosphine coordination complex, M(PR3)2X2. There are two molecules in the unit cell which do not appear to interact chemically. Both molecules have a trans-square planar configuration with each nickel atom on a center of symmetry. Three benzyl groups are bonded to each phosphorus atom as rotors in a propeller, and the threefold axis is along the P—Ni bond, which has a mean length of 2.23(1) Å. Crystal data: C42H42Cl2NiP2, Triclinic, space group $$P\bar 1 $$ , a = 10.4892(15) b = 10.5249(12) c = 19.453(2) Å, α = 83.872(8), β = 76.839(9), γ = 62.241(8)°, V = 1850.5(4) Å3, Z = 2. There is an intramolecular hydrogen bond between the C3 and C11 atoms.
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  • 36
    Digitale Medien
    Digitale Medien
    Springer
    Queueing systems 34 (2000), S. 1-35 
    ISSN: 1572-9443
    Schlagwort(e): multiple access ; CDMA ; rates of convergence ; stability ; functional limit theorems ; transient analysis ; Markov-modulated capture channel
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Informatik
    Notizen: Abstract We consider the slotted ALOHA protocol on a channel with a capture effect. There are M 〈 ∞ users each with an infinite buffer. If in a slot, i packets are transmitted, then the probability of a successful reception of a packet is q i. This model contains the CDMA protocols as special cases. We obtain sufficient rate conditions, which are close to necessary for stability of the system, when the arrival streams are stationary ergodic. Under the same rate conditions, for general regenerative arrival streams, we obtain the rates of convergence to stationarity, finiteness of stationary moments and various functional limit theorems. Our arrival streams contain all the traffic models suggested in the recent literature, including the ones which display long range dependence. We also obtain bounds on the stationary moments of waiting times which can be tight under realistic conditions. Finally, we obtain several results on the transient performance of the system, e.g., first time to overflow and the limits of the overflow process. We also extend the above results to the case of a capture channel exhibiting Markov modulated fading. Most of our results and proofs will be shown to hold also for the slotted ALOHA protocol without capture.
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  • 37
    Digitale Medien
    Digitale Medien
    Springer
    Celestial mechanics and dynamical astronomy 78 (2000), S. 227-241 
    ISSN: 1572-9478
    Schlagwort(e): stability ; normal form ; spin-orbit resonance
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract We consider a model of spin-orbit interaction, describing the motion of an oblate satellite rotating about an internal spin-axis and orbiting about a central planet. The resulting second order differential equation depends upon the parameters provided by the equatorial oblateness of the satellite and its orbital eccentricity. Normal form transformations around the main spin-orbit resonances are carried out explicitly. As an outcome, one can compute some invariants; the fact that these quantities are not identically zero is a necessary condition to prove the existence of nearby periodic orbits (Birkhoff fixed point theorem). Moreover, the nonvanishing of the invariants provides also the stability of the spin-orbit resonances, since it guarantees the existence of invariant curves surrounding the periodic orbit.
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  • 38
    Digitale Medien
    Digitale Medien
    Springer
    Journal of computational analysis and applications 2 (2000), S. 293-308 
    ISSN: 1572-9206
    Schlagwort(e): parabolic equations ; ADI scheme ; stability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Mathematik
    Notizen: Abstract An ADI scheme for solving three-dimensional parabolic equations withfirst-order derivatives and variable coefficients has been developed basedon our previous papers and the idea of the modified upwind differencescheme. This ADI scheme is second-order accurate and unconditionallystable. Further, a small parameter can be chosen which makes it suitablefor simulating fast-transient phenomena or for computations on fine spatialmeshes. The method is illustrated with numerical examples.
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  • 39
    Digitale Medien
    Digitale Medien
    Springer
    Queueing systems 36 (2000), S. 327-349 
    ISSN: 1572-9443
    Schlagwort(e): multiclass networks ; networks with feedback ; Skorokhod Problem ; Skorokhod Mapping ; Lipschitz continuity ; stability ; load conditions
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Informatik
    Notizen: Abstract We consider a four-class two-station network with feedback, with fluid inputs and a head-of-the-line generalized processor sharing discipline at each station. We derive the Skorokhod Problem associated with the network and obtain algebraic sufficient conditions for Lipschitz continuity of the associated Skorokhod Map. This provides the first example of a multiclass network with feedback for which the associated Skorokhod Problem has been proved to be regular. As an elementary application, we show that under the conditions which guarantee Lipschitz continuity the network is stable if and only if the usual load conditions apply.
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  • 40
    Digitale Medien
    Digitale Medien
    Springer
    Journal of dynamics and differential equations 12 (2000), S. 117-167 
    ISSN: 1572-9222
    Schlagwort(e): singular perturbation ; standing pulses ; stability ; Hopf bifurcation ; reaction-diffusion system
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Mathematik
    Notizen: Abstract Bifurcation phenomena from standing pulse solutions of the problem $$\varepsilon \tau u_t = \varepsilon ^2 u_{xx} + f(u,v),{\text{ }}v_t = v_{xx} + g(u,v)$$ is considered. ε(〉0) is a sufficiently small parameter and τ is a positive one. It is shown that there exist two types of destabilization of standing pulse solutions when τ decreases. One is the appearance of travelling pulse solutions via the static bifurcation and the other is that of in-phase breathers via the Hopf bifurcation. Furthermore which type of destabilization occurs first with decreasing τ is discussed for the piecewise linear nonlinearities f and g.
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  • 41
    Digitale Medien
    Digitale Medien
    Springer
    Catalysis letters 68 (2000), S. 55-58 
    ISSN: 1572-879X
    Schlagwort(e): promoting effect ; B2O3 ; Cu/ZnO/Al2O3 catalyst ; methanol synthesis ; stability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The addition of B2O3 to a Cu/ZnO/Al2O3 catalyst increased the activity of the catalyst for methanol synthesis after an induction period during the reaction. The stability of the B2O3-containing Cu/ZnO/Al2O3 catalyst was greatly improved by the addition of a small amount of colloidal silica to the catalyst.
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  • 42
    ISSN: 1572-879X
    Schlagwort(e): potassium desorption ; stability ; excitation ; iron catalyst ; Rydberg atoms
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Well‐characterized catalyst model compounds of KAlO2 and KFeO2 are investigated by thermal desorption of potassium from the material. The desorbing fluxes of ions, atoms and highly excited states (field ionizable Rydberg states) were studied with surface and field ionization detectors in a vacuum apparatus. From the Arrhenius plots the activation energies for desorption of K and K+ were determined. The chemical state of potassium at the surfaces is concluded to be: ionic on KAlO2 (with the K desorption barrier of 1.76 eV) and covalent on KFeO2 (barrier of 2.73 eV). These results agree with the data obtained earlier for industrial catalysts for ammonia and styrene production. They are interpreted in terms of the Schottky cycle, which is completed for KAlO2 and fails for KFeO2. This failure indicates a non‐equilibrium desorption process. K Rydberg states are only found to desorb from KFeO2, in agreement with the suggestion that such states in some way are responsible for the catalytic activity.
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  • 43
    Digitale Medien
    Digitale Medien
    Springer
    Set-valued analysis 8 (2000), S. 253-266 
    ISSN: 1572-932X
    Schlagwort(e): Hausdorff metric ; linear inequality systems ; stability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Mathematik
    Notizen: Abstract In this paper, we propose a Hausdorff metric to measure the “distance” between two linear inequality systems on a real normed space X. For this topology, which comes through a pseudo-metric in the set Σ of linear inequality systems, the closedness of the feasible set mapping is studied, and at the same time a characterization of the stability of the subset Σ c of consistent sytems is given.
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  • 44
    Digitale Medien
    Digitale Medien
    Springer
    Annals of operations research 99 (2000), S. 251-265 
    ISSN: 1572-9338
    Schlagwort(e): stochastic programming ; bond portfolio management ; interest ratescenarios ; stability ; sensitivity
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Mathematik , Wirtschaftswissenschaften
    Notizen: Abstract The bond portfolio management problem is formulated as a multiperiod two-stage or multistage stochastic program based on interest rate scenarios. These scenarios depend on the available market data, on the applied estimation and sampling techniques, etc., and are used to evaluate coefficients of the resulting large scale mathematical program. The aim of the contribution is to analyze stability and sensitivity of this program on small changes of the coefficients – the (scenario dependent) values of future interest rates and prices. We shall prove that under sensible assumptions, the scenario subproblems are stable linear programs and that also the optimal first-stage decisions and the optimal value of the considered stochastic program possess acceptable continuity properties.
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  • 45
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 671-675 
    ISSN: 1572-8854
    Schlagwort(e): Synthesis ; crystal structure ; lutetium(III) ; cobalt(III) hexacyanide ; cyanide bridging
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal structure of the bimetallic cyanide bridged complex [(DMF)4(H2O)3LuCo(CN)6]·H2O (1) was obtained by single-crystal X-ray diffraction. The central lutetium(III) ion is eight coordinate arranged in a square antiprism while the cobalt(III) ion is six coordinate, oriented octahedrally. Molecules in the crystal lattice are held together by a network of hydrogen bonding. Crystallization of 1 occurs in the centrosymmetric monoclinic space group P21/c (No. 14) with a = 13.875(2), b = 8.8352(9), c = 24.633(2) Å β = 96.392(8)° and Z = 4.
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  • 46
    ISSN: 1572-8854
    Schlagwort(e): mixed metal diphosphates ; AI 2BII 3(P2O7)2 ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Syntheses and single-crystal X-ray structural results are reported for three new mixed diphosphates of the family AI 2BII 3(P2O7)2; Ag2Co3(P2O7)2 (I), Ag2Mn3(P2O7)2 (II), and Na2Cd3(P2O7)2 (III). All crystallize in the triclinic system, space group P1 bar: (I) a = 5.351(4), b = 6.375(4), c = 16.532(4) Å, α = 80.83(6) β = 81.45(4), γ = 72.87(5)°, V = 528.9(6) Å3, Z = 2, D calc = 4.649 mg/m3, R/Rw = 0.0428/0.0548 for 3949 obs. reflns; (II) a = 5.432(7), b = 6.619(6), c = 16.51(3) Å, α = 80.78(8) β = 82.43(9), γ = 72.82(7)°, V = 557.7(13) Å3, Z = 2, D calc = 4.338 mg/m3, R/Rw = 0.0679/0.1303 for 2100 obs. reflns and (III) a = 5.67(3), b = 7.08(4), c = 7.90(4) Å, α = 77.0(2), β = 82.5(2), γ = 67.8(2)°, V = 286(3) Å3, Z = 2, D calc = 4.249 mg/m3, R/Rw = 0.0307/0.0342 for 1945 obs. reflns. (I) and (II) are isostructural but (III) is of a different type. All three structures are characterized by layers of P2O7 groups alternating with layers of mixed metal atoms. Differences are seen in the conglomerate bonding patterns of B atoms and in the irregular geometry of Ag in (I) and (II) compared to the octahedral bonding seen for Na in (III). The differences in structure may be understood in terms of the ratios of the ionic radii of A and B atoms.
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  • 47
    ISSN: 1572-8854
    Schlagwort(e): calix[4]arene ; CH/π interaction ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Diethoxynitrobenzene-p-tert-butylcalix[4]arene⋅2(CH3)2C=O crystallized in the monoclinic system, space group P21/c, with cell dimensions a = 16.1437(2) Å, b = 21.0292(2) Å, c = 18.9685(3) Å and β = 110.308(1)°. The asymmetric unit consists of a diethoxynitrobenzene-p-tert-butylcalix[4]arene molecule and two solvated acetone molecules. Besides the usual CH/π interaction between p-tert-butylcalix[4]arene π cavity and a solvated acetone, this structure shows the intra- and intermolecular CH/π interactions among a nitrobenzene ring, ethylene bridge of the ethoxynitrobenzene side chain and a solvated acetone molecule.
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  • 48
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 743-747 
    ISSN: 1572-8854
    Schlagwort(e): macrocycle ; hydroxyethyl pendant ; crystal structure ; hydrogen bonds
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The new macrocyclic compound bearing hydroxyethyl pendant arms containing p-xylyl spacers, 3,6,9,16,19,22-hexaaza-6,19-bis(2-hydroxyethyl)-tricyclo[22,2,2,211,14] triaconta-1,11,13,24,27,29-hexaene, crystallizes in the monoclinic space group P21/c with a = 8.700(2) Å, b = 18.301(4) Å, c = 11.766(2) Å, β = 108.57(2)°. The two hydroxyethyl pendants are at the opposite sides of the macrocyclic plane. Benzene rings in macrocycle are parallel and exist the π-π weak interaction with distance of 4.28 Å. The crystal packing of the macrocycle is stabilized by the hydrogen bonds.
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  • 49
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 799-804 
    ISSN: 1572-8854
    Schlagwort(e): organic sulfate ; crystal structure ; DTA/TG/DSC ; IR spectra
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Chemical preparation, X-ray single crystal, thermal analysis, and IR spectrometric investigation of (C4H12N)2SO4, denoted tBAS, are described. The compound crystallizes in the monoclinic system with C2/c space group. Its unit cell dimensions are a = 11.1585(5) Å, b = 6.2148(4) Å, c = 20.070(1) Å, β = 102.004(4)°, V = 1361.4(1) Å3, and Z = 4. The crystal structure of tBAS can be described as a typical thick layered organization built by all the components of the structure and centered by planes z = 1/4 and 3/4. Connection in these layers are established by N—H···O hydrogen bonds. Thermal analysis shows a reversible weak phase transition.
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  • 50
    ISSN: 1572-8854
    Schlagwort(e): copper ; bis(benzimidazoles) ; crystal structure ; infrared
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The structure of a mononuclear copper(II) compound with the ligand bis(2-benzimidazolyl)propane (abbreviated as tbz) is reported. The compound [Cu(tbz)2](CF3SO3)2(H2O) crystallizes in the triclinic space group P $$\bar 1$$ , with a = 12.363(6), b = 13.218(9), c = 15.365(8) Å, α = 82.74(5), β = 68.04(4), γ = 65.30(5), and Z = 2. The Cu(II) atom has a geometry intermediate between tetrahedral and square planar, consisting of four nitrogen atoms of two tbz ligands. The Cu—N—Cu angles are about 135°, while the dihedral angle between them amounts to 62° (0° for square planar and 90° for a tetrahedron). Ligand field bands are observed at 10.2 × 103, 13.8 × 103, and 20.3 × 103 cm−1, while the most characteristic infrared vibrations of the triflate anion are observed at 1273, 1260, 1238, 1221, 1171, and 1157 cm−1.
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  • 51
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 95-98 
    ISSN: 1572-8854
    Schlagwort(e): organic sulfate ; crystal structure ; DTA/TG/DSC
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Chemical preparation, x-ray single crystal, and thermal analysis of C6H18N2SO4·H2O (denoted DMPS) are described. The compound crystallizes in the triclinic system with P $$\overline 1$$ space group. Its unit cell dimensions are a = 5.826(1) Å, b = 10.014(1) Å, c = 11.221(1) Å, α = 66.716(1)°, β = 84.395(1)°, γ = 83.759(1)°, V = 596.7(1) Å3, and Z = 2. The DMPS structure is built up from inorganic chains parallel to the a axis and linked via O(W)-H···O hydrogen bonds. These chains are interconnected by organic groups. Thermal analysis reveals the presence of one water molecule in the structure and shows a reversible weak phase transition.
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  • 52
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 115-118 
    ISSN: 1572-8854
    Schlagwort(e): 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene (titmb); crystal structure; hydrogen bonding; 2D NMR ; crystal structure ; hydrogen bonding ; 2D NMR
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The molecule 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene (titmb) crystallizes as a monohydrate in the monoclinic space group C2/c with a = 20.888(4), b = 13.220(2), c = 14.385(2) Å, β = 90.36(1)°. Two of three imidazole groups are on one side of the central benzene ring, and the other one is on the opposite side. The crystal packing of titmb is stabilized by O-H--N hydrogen bonding between the water molecule and nitrogen atoms of the imidazole group. The complete 1H and 13C NMR assignments for titmb were carried out by 2D NMR spectral measurements.
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  • 53
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 119-122 
    ISSN: 1572-8854
    Schlagwort(e): phthalic acid ; 2, 6-dimethylpyridine ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract A new crystal of 2,6-dimethylpyridinium hydrogen phthalate (DPMHP) has been prepared and characterized by x-ray crystallography. DPMHP crystallizes in the monoclinic space group C2/c with a = 26.105(3), b = 8.2250(10), c = 13.8750(10) Å, β = 116.02(1)°, V = 2677.2(5) Å3, and Z = 8. The 2,6-dimethylpyridinium (DPM) is held with the hydrogen phthalate ion (HPI) by intermolecular hydrogen bond of N-H-O. A noncentered hydrogen atom is involved in the short intramolecular hydrogen of O-O [2.398(2) Å] between the neighboring carboxylic groups. The phenyl ring of the HPI appears to be deformed in comparison with the original. The entity of HPI in itself and DMPMHP as a whole are arranged in a rumple pattern. The geometrical arrangement in the crystal structure is characterized by the formation of laminar ribbons of DPMHP.
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  • 54
    ISSN: 1572-8854
    Schlagwort(e): α-halopyruvamide derivatives ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Two compounds have been prepared during the investigation of the reactivity of α-halopyruvamides. The reaction products: 3-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carboxamide (1) and 7-carbamoyl-5-phenyl-2,3-dihydro[1,3]thiazolo[4,3-b][1,3]thiazol-4-ium chloride (2) were structurally characterized by x-ray crystallography. Compound 1 crystallizes in the orthorhombic space group Pca21 with a = 28.813(2), b = 9.369(1), and c = 9.361(1) Å. The structure contains two crystallographically different molecules. Compound 2 crystallizes in the monoclinic space group P21/c with the following cell parameters: a = 8.5895(8), b = 22.499(2), c = 7.4133(6) Å, and β = 110.204(1)°.
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  • 55
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    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 131-134 
    ISSN: 1572-8854
    Schlagwort(e): 1,2,4-Oxadiazole ; crystal structure ; phthalimide derivative ; AM1 method ; STO-3G basis set
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The synthesis, spectroscopic studies and crystal structure of the title compound is described. The crystallographic studies showed that the p-bromophenyl group is very nearly coplanar with the 1,2,4-oxadiazole ring. The nearly planar phthalimide group makes an angle of about 98° with the bromophenyloxadiazole plane. Semi-empirical (AM1) and ab initio (STO-3G, 6-31G) molecular orbital calculations have been carried out for this compound and a comparison of bond angles, bond lengths and torsion angles has been made with the experimental values, which are remarkably close to each other. This compound crystallizes in the monoclinic space group P21/c with a = 13.6299(2),b = 13.9836(2), c = 8.4817(2) Å, β = 101.9070(10)°, V = 1581.79(5) Å3, and Z = 4.
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  • 56
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 135-138 
    ISSN: 1572-8854
    Schlagwort(e): alkaloid ; tazettine type ; amaryllidaceae ; crystal structure ; molecular mechanics
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal and molecular structure of augustamine (1), C17H19NO4 an amaryllidaceae alkaloid of the tazettine group has been determined by direct methods from single crystal x-ray diffractometer data and refined by full-matrix least squares. The alkaloid (1) crystallizes in the space group P212121, with cell parameters: a = 7.833(8) b = 11.08(2) å, c = 16.69(6) Å, Z = 4, Dc = 1.381 g/cm−3, R = 7.6% for 1115 observed reflections. The molecule, having a hexacyclic ring system, is very rigid with the ring B in a chair conformation. Molecular mechanics calculations have been made using MM3(2000) force field.
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  • 57
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 159-162 
    ISSN: 1572-8854
    Schlagwort(e): crystal structure ; cobalt (II) complex ; one-dimensional chain ; hydrogen bond
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract A one-dimensional chain complex, {[Co(bpm)2(N3)2][Co(bpm)2(H2O)2]} (ClO4)2, (bpm being bis(pyrazol-l-yl)methane), has been synthesized and characterized by X-ray diffraction: triclinic, space group P - 1 with a = 8.805(2) Å, b = 8.902(2) Å, c = 13.621(3) Å, α = 84.27(3)°, β = 84.63(3)°, γ = 80.05(3)°, V = 1043.2(4) Å3, Z = 1. Two cobalt atoms have ideal octahedral environments with different coordination atoms. One cobalt atom is six-coordinated with nitrogen atoms from two bpm ligands and two azide ligands, while the other cobalt atom is coordinated by four nitrogen atoms from bpm and two oxygen atoms from water molecules. The complex forms one-dimensional chain through hydrogen bonds.
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  • 58
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 301-309 
    ISSN: 1572-8854
    Schlagwort(e): Synthesis ; crystal structure ; dioxouranium(VI) ; lanthanide(III) ; thiocyanate ; nitrate
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Reactions of tetra-n-butylammonium thiocyanate with lanthanide and uranyl nitrates yield complexes of the general type [(Bu)4N]x[M(NCS)y(NO3)z]. Samples of [(Bu)4N]2 [UO2(NCS)3( NO3)] (1), [(Bu)4N]3[Yb(NCS)4(NO3)2] (2), and [(Bu)4N]3[Nd(NCS)4(NO3)2rsqb; (3) were prepared from alcohol solutions. Crystallization of 1 occurs in the centrosymmetric monoclinic space group C2/c (No. 15) with a = 17.949(4) Å, b = 16.587(3) Å, c = 16.763(3) Å; β = 99.77(3)°; and Z = 4. The seven-coordinate uranium(VI) ion exhibits a pentagonal bipyramid coordination environment. Crystallization of 2 occurs in the centrosymmetric orthorhombic space group Pnnn (No. 48) with a = 12.530(2) Å, b = 12.9440(10) Å, c = 21.203(2) Å; Z = 2. The eight-coordinate ytterbium(III) ion expresses a dodecahedral coordination environment. Crystallization of 3 occurs in the noncentrosymmetric monoclinic space group Cc (No. 9) with a = 16.556(2) Å, b = 18.130(2) Å, c = 23.984(4) Å; Z = 4. The 10-coordinate neodymium(III) ion exhibits a dodecahedral coordination environment. Characterization includes physical property determinations, conoscopic studies, IR spectroscopic identifications, and UV spectral data. Details of the syntheses along with selected bond distances and angles are presented and discussed.
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  • 59
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 329-333 
    ISSN: 1572-8854
    Schlagwort(e): Pervanadyl complex ; Schiff base ; di(μ-oxo)-bridged dimer ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract A di(μ-oxo)-bridged dinuclear complex, [VO2(pamh)]2 was isolated by reacting bis(acetylacetonato)vanadium(IV) and the Schiff base, N-(anisoyl)-N′-(picolinylidene)-hydrazine (Hpamh) in acetonitrile. The complex crystallizes in the space group $$P\bar 1 $$ ;1; (#2) on crystallographic inversion center. Crystal data: a = 8.2202(12) Å, b = 9.8389(19) Å, c = 10.1907(17) Å, α = 68.245(15)°, β = 74.47(2)°, γ = 66.710(19)°, V = 696.0(2) Å3, and Z = 1. The physical properties of the complex and the structural parameters are consistent with the +5 oxidation state of the metal ions. The monomeric VO2(pamh) unit is square-pyramidal. The planar mononegative ligand (pamh−) coordinates the metal ion via the pyridine-N, the imine-N, and the amide-O atoms. One of the oxo groups completes the NNOO basal plane and also participates in the Vndash;Ondash ;V bridge formation. The other oxo group satisfies the fifth apical coordination site. The molecular structure of the dimeric complex, [VO2(pamh)]2 can be described as two edge-shared distorted VO4N2 octahedra.
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  • 60
    ISSN: 1572-8854
    Schlagwort(e): Helical hydrogen-bridged one-dimensional Cu(II) complex ; trans-4-styrylpyridine ; crystal structure ; IR and electronic spectroscopy
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Single crystals of the helical hydrogen-bridged one-dimensional Cu(II) complex, [Cu(stpy)2(CH3COO)2(H2O)2] (1) [Cu(stpy)2(CH3COO)2(H2O)] (2), are prepared and characterized by elemental and thermal analyses, IR, electronic and X-ray crystal structure determination. The crystals are monoclinic, of space group C2/c, with unit cell parameters a = 31.842(7) Å, b = 5.9829(10) Å, c = 30.970(14) Å, β = 111.78(3)°, Z = 4. The asymmetric unit contains two different types of Cu(II) polyhedra, namely, octahedron and square pyramid within the same unit cell. 1 has elongated octahedral geometry with two nitrogen atoms from stpy and two oxygen atoms from synmonodentate acetate ligands, transcoordinated to Cu(II) in the basal plane. The oxygen atoms of the two water molecules occupy the axial positions. 2 has Cu(II) coordination polyhedra similar to 1, except that only one of the apical positions is occupied by a water molecule. The structure consists of two independent linear chains, one involving octahedral (1) and the other involving square-pyramidal (2) polyhedra, held by hydrogen bridges. The Cu–Cu intra- and interchain separations in both 1 and 2 are 5.983 and 8.214 Å. The unit cell packing shows weak π-stacking between adjacent coordinated stpy ligands in the chain, resulting in ladder-type structure. Further, the extended packing reveals helical arrangement of Cu(II) polyhedra in the lattice.
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  • 61
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 455-458 
    ISSN: 1572-8854
    Schlagwort(e): Ytterbium ; malonamide ; crystal structure ; extraction
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract [Yb(L(NO3)2(H2O)2](NO3), L = bromo-N,N,N′,N′-tetraethylmalonamide crystallizes in the triclinic spacegroup P-1 with cell dimensions a = 9.030(9), b = 12.036(12), c = 12.392(13) Å, α = 84.52(1), β = 77.58(1), γ = 67.21(1)° , dcalc = 1.935 g cm-3 for Z = 2. The ytterbium atom in the complex cation is nine-coordinate being bonded to two oxygen atoms from the malonamide ligand, two nitrate anions, and three water molecules.
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  • 62
    Digitale Medien
    Digitale Medien
    Springer
    Journal of chemical crystallography 30 (2000), S. 563-571 
    ISSN: 1572-8854
    Schlagwort(e): Maleimide ; crystal structure ; photopolymerization ; monomer ; conformation
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Nine phenyl substituted N-phenylmaleimide monomers for photopolymerization studies have been characterized by x-ray crystallography. Structures for N-(2′-t-butylphenyl)maleimide (1), P21/n, a = 10.197(3) Å, b = 11.904(4) Å, c = 10.496(5) Å, β = 100.61(3)° N-(2′-trifluoromethylphenyl)maleimide (2), P21/c, a = 11.763(8) Å, b = 10.699(9) Å, c = 8.284(5) Å, β = 90.02(5)° N-(2′,6′-diisopropylphenyl)maleimide hemibenzene solvate (3), Pc, a = 16.747(6) Å, b = 8.552(3) Å, c = 12.899(4) Å, β = 105.08(3)° N-(2′,6′-diisopropylphenyl) maleimide (unsolvated) (4), C2/c, a = 28.146(10) Å, b = 8.434(4) Å, c = 12.881(4) Å, β = 92.20(4)° N-(2′-bromo-3′,5′-bis(trifluoromethyl)phenyl) maleimide (5), P21/n, a = 8.7115(16) Å, b = 16.125(3) Å, c = 9.6707(19) Å, β = 99.757(15)° N-(2′-phenylphenyl)maleimide (6), P21/n, a = 8.519(4) Å, b = 13.742(5) Å, c = 11.147(4) Å, β = 92.25(3)° N-(4′-methoxyphenyl)maleimide (7), P21/n, a = 9.320(3) Å, b = 6.621(2) Å, c = 16.059(6) Å, β = 99.58(3)° N-(2′-trifluoromethylphenyl)-2-methylmaleimide (8), Fdd2, a = 43.362(12) Å, b = 8.202(2) Å, c = 12.720(4) Å and N-(2′-trifluoromethylphenyl)-2-methanosuccinimide (9), Cc, a = 7.708(2) Å, b = 22.191(9) Å, c = 7.137(2) Å, β = 115.76(2)° are described. Molecules with bulky 2′-substituents show larger rotations between the mean phenyl and maleimide ring planes, and varying degrees of distortion to the imide group.
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  • 63
    Digitale Medien
    Digitale Medien
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    Applications of mathematics 45 (2000), S. 161-176 
    ISSN: 1572-9109
    Schlagwort(e): reaction-diffusion system ; unilateral conditions ; quasivariational inequality ; Leray-Schauder degree ; eigenvalue ; stability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Mathematik
    Notizen: Abstract We consider a reaction-diffusion system of the activator-inhibitor type with unilateral boundary conditions leading to a quasivariational inequality. We show that there exists a positive eigenvalue of the problem and we obtain an instability of the trivial solution also in some area of parameters where the trivial solution of the same system with Dirichlet and Neumann boundary conditions is stable. Theorems are proved using the method of a jump in the Leray-Schauder degree.
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  • 64
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    Digitale Medien
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    Advances in computational mathematics 12 (2000), S. 229-250 
    ISSN: 1572-9044
    Schlagwort(e): numerical analysis ; shallow water problems ; DIRK methods ; stability ; 65L06 ; 65L20 ; 65M12 ; 65M20
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Mathematik
    Notizen: Abstract We construct A‐stable and L‐stable diagonally implicit Runge–Kutta methods of which the diagonal vector in the Butcher matrix has a minimal maximum norm. If the implicit Runge–Kutta relations are iteratively solved by means of the approximately factorized Newton process, then such iterated Runge–Kutta methods are suitable methods for integrating shallow water problems in the sense that the stability boundary is relatively large and that the usually quite fine vertical resolution of the discretized spatial domain is not involved in the stability condition.
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  • 65
    Digitale Medien
    Digitale Medien
    Springer
    BIT 40 (2000), S. 62-73 
    ISSN: 1572-9125
    Schlagwort(e): Gaussian elimination ; stability ; pivoting
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Mathematik
    Notizen: Abstract It has been recently shown that large growth factors might occur in Gaussian Elimination with Partial Pivoting (GEPP) also when solving some plausibly natural systems. In this note we argue that this potential problem could be easily solved, with much smaller risk of failure, by very small (and low cost) modifications of the basic algorithm, thus confirming its inherent robustness. To this end, we first propose an informal model with the goal of providing further support to the comprehension of the stability properties of GEPP. We then report the results of numerical experiments that confirm the viewpoint embedded in the model. Basing on the previous observations, we finally propose a simple scheme that could be turned into (even more) accurate software for the solution of linear systems.
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  • 66
    Digitale Medien
    Digitale Medien
    Springer
    BIT 40 (2000), S. 611-639 
    ISSN: 1572-9125
    Schlagwort(e): Runge-Kutta methods ; stability ; convergence ; stiff problems
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Mathematik
    Notizen: Abstract This paper studies the stability and convergence properties of general Runge-Kutta methods when they are applied to stiff semilinear systems y′(t) = J(t)y(t) + g(t, y(t)) with the stiffness contained in the variable coefficient linear part. We consider two assumptions on the relative variation of the matrix J(t) and show that for each of them there is a family of implicit Runge-Kutta methods that is suitable for the numerical integration of the corresponding stiff semilinear systems, i.e. the methods of the family are stable, convergent and the stage equations possess a unique solution. The conditions on the coefficients of a method to belong to these families turn out to be essentially weaker than the usual algebraic stability condition which appears in connection with the B-stability and convergence for stiff nonlinear systems. Thus there are important RK methods which are not algebraically stable but, according to our theory, they are suitable for the numerical integration of semilinear problems. This paper also extends previous results of Burrage, Hundsdorfer and Verwer on the optimal convergence of implicit Runge-Kutta methods for stiff semilinear systems with a constant coefficients linear part.
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  • 67
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    BIT 40 (2000), S. 226-240 
    ISSN: 1572-9125
    Schlagwort(e): Stochastic differential equations ; regularisation ; stability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Mathematik
    Notizen: Abstract This paper is devoted to the numerical analysis of ill-posed problems of evolution equations in Banach spaces using certain classes of stochastic one-step methods. The linear stability properties of these methods are studied. Regularisation is given by the choice of the regularisation parameter as α = $$\sqrt {\tau _n }$$ , where τ n is the stepsize and provides the convergence on smooth initial data. The case of the approximation of well-posed problems is also considered.
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  • 68
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    Archive of applied mechanics 70 (2000), S. 17-29 
    ISSN: 1432-0681
    Schlagwort(e): Key words free-surface flow ; solidification ; strip casting ; steady state ; nonuniqueness ; stability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau
    Notizen: Summary The paper is concerned with a one-dimensional analysis of plane open-channel flow with continuous solidification. The process is of relevance for recent developments in the casting of steel and other metals. The bottom of the channel consists of a rotating casting roll and a horizontal cooling table, where the solidified material is withdrawn with given velocity. The study is restricted to the region downstream of the top of the casting roll. Surface tension is neglected. In the main part of the analysis inviscid fluid flow is considered since the Reynolds number is very large in the applications. It is found that the steady-state solutions are nonunique in a certain parameter range. In addition to a continuous solution, there are two solutions including hydraulic jumps, with one hydraulic jump being located on the casting roll, the other one on the cooling table. Regarding the stability of the non unique solutions, the evolution of disturbances is investigated numerically as an initial-value problem. It is concluded that the hydraulic jump on the cooling table is unstable, while the other discontinuous solution as well as the continuous solution are stable for sufficiently small disturbances. Which stable solution is attained in the steady state, depends on the history of the process. Friction at the liquid/solid interface is taken into account in the last part of the analysis. A constant friction coefficient is assumed. It is found that the history of the process determines the steady-state solution if, and only if, the friction coefficient is sufficiently small. For larger values of the friction coefficient, the steady-state solution is unique and independent of the history of the transient process. Furthermore, for sufficiently large friction coefficients, stable hydraulic jumps are found, in contrast to the inviscid case, also on the cooling table.
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  • 69
    Digitale Medien
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    Journal of intelligent and robotic systems 27 (2000), S. 195-209 
    ISSN: 1573-0409
    Schlagwort(e): wall-climbing robot ; electromagnetic grippers ; stability ; additional support element ; sliding and turning over conditions
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Informatik , Maschinenbau
    Notizen: Abstract Legged-climbing robot is considered. Each foot of the robot has an electromagnet system for robot"s holding on a metal surface. This surface can be both vertical and inclined, including negative slope. Analytical calculation of robot stability under turn over or sliding conditions has been made. Critical slopes have been determined. One of these slopes corresponds to minimal reserve of robot stability towards sliding and another to minimal reserve of robot stability towards turning-over. As total reserve of stability of a robot is always equal to the minimal one of these reserves. Additional support elements of elastic material with high coefficient of friction, along with electromagnet, allows to increase minimal reserve of robot stability towards sliding. The use of such support elements leads to redistributing force of normal support reaction between electromagnet (which surface has low coefficient of friction) and additional support element (which surface has high coefficient of friction). It is just what leads to increasing the total friction force and as a consequence to increasing of minimal reserve of robot stability towards sliding.
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  • 70
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    Letters in mathematical physics 53 (2000), S. 313-320 
    ISSN: 1573-0530
    Schlagwort(e): partial differential equations ; nonlinearities ; symmetries ; stability ; minimization
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Mathematik , Physik
    Notizen: Abstract We suggest a simple but general method of establishing symmetry properties of stable solutions of nonlinear elliptic equations. The method relies on characterization of symmetry breaking with a help of zero modes and on a generalization of the Perron–Frobenius theory.
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  • 71
    ISSN: 1572-9605
    Schlagwort(e): superconductivity ; Hg-based cuprate ; Hg-1212 (Hg,Mo)Sr2(Ca,R)Cu2O z ; neutron diffraction ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Elektrotechnik, Elektronik, Nachrichtentechnik , Physik
    Notizen: Abstract Two series of Hg-based oxides (Hg0.7Mo0.3)Sr2(Ca1−x R x )Cu2O z (R = Nd and Pr, 0.2 ≤ x ≤ 0.7) have been synthesized. Electrical-resistivity measurements show that these compounds are superconductors with maximum onset T c of 107 and 102 K for Nd- and Pr-containing samples, respectively. The neutron powder diffraction experiments on both as-prepared and O2-annealed samples of R = Nd revealed that the O(3) site at the HgOδ sheets are fully occupied and shifted towards the Hg/Mo site to form Mo–O bonds.
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  • 72
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    Journal of statistical physics 101 (2000), S. 731-746 
    ISSN: 1572-9613
    Schlagwort(e): attractive Bose–Einstein condensates ; nonlinear Schrödinger equation ; stability ; ground state ; variational arguments
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract We propose the critical nonlinear Schrödinger equation with a harmonic potential as a model of attractive Bose–Einstein condensates. By an elaborate mathematical analysis we show that a sharp stability threshold exists with respect to the number of condensate particles. The value of the threshold agrees with the existing experimental data. Moreover with this threshold we prove that a ground state of the condensate exists and is orbital stable. We also evaluate the minimum of the condensate energy.
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  • 73
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    Journal of thermal analysis and calorimetry 60 (2000), S. 595-604 
    ISSN: 1572-8943
    Schlagwort(e): crystal structure ; DSC ; oxides ; X-ray diffraction
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The formation of TiO2 prepared by hydrolysis method was presented. Thermodynamics and kinetics of anatase crystallization reaction were investigated. Differential method of kinetic data evaluation in non-isothermal conditions according toKissinger, Ozawa and Kazeev-Yerofeev was applied. Starting, crystallized and thermally treated powders were determined using X-ray powder diffraction analysis. The characteristic parameters (the activation energy, constant rate and formal kinetic order of reaction) of TiO2 formation were calculated using DSC data.
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  • 74
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    Acta applicandae mathematicae 62 (2000), S. 23-130 
    ISSN: 1572-9036
    Schlagwort(e): stability ; functional equations ; Cauchy difference ; semigroup ; inequalities ; approximate
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Mathematik
    Notizen: Abstract In this paper, we study the stability of functional equations that has its origins with S. M. Ulam, who posed the fundamental problem 60 years ago and with D. H. Hyers, who gave the first significant partial solution in 1941. In particular, during the last two decades, the notion of stability of functional equations has evolved into an area of continuing research from both pure and applied viewpoints. Both classical results and current research are presented in a unified and self-contained fashion. In addition, related problems are investigated. Some of the applications deal with nonlinear equations in Banach spaces and complementarity theory.
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  • 75
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    International journal of fracture 105 (2000), S. 57-79 
    ISSN: 1573-2673
    Schlagwort(e): Interface toughness ; interface debonding ; stability ; adhesive interface ; bimaterial.
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau
    Notizen: Abstract In this paper, we studied the interface debonding when a crack perpendicularly approaches an interface between two dissimilar elastic materials. An interface toughness law was first defined according to an adhesive model governing the interface fracture. By analysing the interaction between the normally approaching crack and the interface crack and by tacking account of the adhesive forces at ends of the interfacial crack, a model for studying the interface debonding and the debonding stability was established. It is observed that the interface debonding toughness depends strongly on the mixed mode locally produced over the plastic adhesive zone of the interface. Moreover, the interface debonding may be unstable, i.e. the interface debonding length may jump from an initial value to a certain final value under critical remote loading. This jump may be surprisedly important in certain cases. These results agree with the experimental works gathered so far and can be used to explain the mechanism of 'crack arrestor' formed by an interface.
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  • 76
    ISSN: 1573-4943
    Schlagwort(e): Methanol dehydrogenase ; Ca2+ ; binding ; activity ; stability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The effects of exogenously added Ca2+ on the enzymatic activity and structural stability of methanol dehydrogenase were studied for various Ca2+ concentrations. Methanol dehydrogenase activity increased significantly with increasing concentration of Ca2+, approaching saturation at 200 mM Ca2+. The effect of Ca2+ on the activation of MDH was time dependent and Ca2+ specific and was due to binding of the metal ions to the enzyme. Addition of increasing concentration of Ca2+ caused a decrease of the intrinsic tryptophan fluorescence intensity in a concentration-dependent manner to a minimum at 200 mM, but with no change in the fluorescence emission maximum wavelength or the CD spectra. The results revealed that the activation of methanol dehydrogenase by Ca2+ occurred concurrently with the conformational change. In addition, exogenously bound Ca2+ destabilized MDH. The potential biological significance of these results is discussed.
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  • 77
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    Acta mechanica Sinica 16 (2000), S. 264-272 
    ISSN: 1614-3116
    Schlagwort(e): nonlinear dynamics ; bifurcation ; stability ; fluid-solid interaction
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau , Physik
    Notizen: Abstract This paper studies interactions of pipe and fluid and deals with bifurcations of a cantilevered pipe conveying a steady fluid, clamped at one end and having a nozzle subjected to nonlinear constraints at the free end. Either the nozzle parameter or the flow velocity is taken as a variable parameter. The discrete equations of the system are obtained by the Ritz-Galerkin method. The static stability is studied by the Routh criteria. The method of averaging is employed to examine the analytical results and the chaotic motions. Three critical values are given. The first one makes the system lose the static stability by pitchfork bifurcation. The second one makes the system lose the dynamical stability by Hopf bifurcation. The third one makes the periodic motions of the system lose the stability by doubling-period bifurcation.
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  • 78
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    Aquatic ecology 34 (2000), S. 261-278 
    ISSN: 1573-5125
    Schlagwort(e): discharge effects on lotic invertebrates ; disturbance ; persistence ; stability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Biologie
    Notizen: Abstract Temporal and spatial trends were examined in benthic macroinvertebrate and physical-chemical data collected for at least ten years at ten sites along the plains reach of the Cache la Poudre River, Colorado, USA. A distinct longitudinal environment gradient was found as many of the water chemistry parameter levels changed downstream from the reference site. Seasonal Kendall analyses on individual sites indicated that several chemical parameters, including conductivity, un-ionized NH3-N and NO2-N have increased since the beginning of the study within most sites. Levels of some parameters (e.g., dissolved oxygen, un-ionized NH3-N) violated aquatic life standards a few times during the study. Over 175 taxa of macroinvertebrates (primarily insects) were collected in the study reach from 1981–1996. Results from detrended correspondence analyses (DCA) on macroinvertebrate data indicated that this stretch of the river exhibited little longitudinal change beyond the two farthest upstream sites. There was a decline in macroinvertebrate density and total number of taxa within most individual sites during 1983–1984, corresponding with the highest recorded discharge in 75 years (1983) and a prolonged, heavy spring runoff in 1984. Taxa richness and density recovered to pre-1983 levels within a few months to a year following the high flows at most sites. These findings suggested that the macroinvertebrate assemblages had low resistance to disturbance, but high resilience. However, the results from DCAs and Kendall's Coefficient of Concordance (W) on individual sites for the entire study period suggested a similar macroinvertebrate community structure through time. It would appear that the composition and abundance of the lotic macroinvertebrate assemblages in the Poudre River has remained relatively constant over the long-term. This has occurred even with some potentially negative changes in water chemistry and increased urban development.
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  • 79
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    Journal of mathematical chemistry 28 (2000), S. 325-340 
    ISSN: 1572-8897
    Schlagwort(e): numerical method ; stability ; Hopf bifurcation ; coupled oscillator
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie , Mathematik
    Notizen: Abstract A second-order accurate numerical method has been proposed for the solution of a coupled non-linear oscillator featuring in chemical kinetics. Although implicit by construction, the method enables the solution of the model initial-value problem (IVP) to be computed explicitly. The second-order method is constructed by taking a linear combination of first-order methods. The stability analysis of the system suggests the existence of a Hopf bifurcation, which is confirmed by the numerical method. Both the critical point of the continuous system and the fixed point of the numerical method will be seen to have the same stability properties. The second-order method is more competitive in terms of numerical stability than some well-known standard methods (such as the Runge–Kutta methods of order two and four).
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  • 80
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    Chemistry of heterocyclic compounds 36 (2000), S. 115-133 
    ISSN: 1573-8353
    Schlagwort(e): thiophthalylium salts ; methods of preparation ; structure ; stability ; reactivity ; electrophilic properties
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Methods of preparation, chemical reactions, the structures and reactivity of thiophthalylium ions are reviewed.
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  • 81
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    Chemistry of heterocyclic compounds 36 (2000), S. 672-678 
    ISSN: 1573-8353
    Schlagwort(e): aminocrotonate ester ; pyridinium salts ; phenyliodonium salts ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Ethyl 3-aminocrotonate, when reacted with hydroxy(tosyloxy)iodobenzene, forms the tosylate of ethyl 3-amino-2-phenyliodoniocrotonate which crystallizes well in up to 80% yield. X-ray analysis confirms the structure of the phenyliodonium salt, revealing intramolecular and unusual intermolecular hydrogen bonds, stabilizing the compound in the crystalline state. Reaction with pyridine, its 4-substituted derivatives, and 4,4′-bipyridine yields tosylates of 2-pyridinio-substituted ethyl 3-aminocrotonates.1H NMR and IR spectra support formation of an intramolecular hydrogen bond for the E-isomer, and iodonium salts in the case of pyridinium salts for the Z-isomer. The UV spectra of the pyridinium salts show an intramolecular charge transfer band.
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  • 82
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    Journal of scientific computing 15 (2000), S. 441-456 
    ISSN: 1573-7691
    Schlagwort(e): modified conjugate gradient method ; conjugate gradient method ; Krylov space ; convergence rate ; stability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Informatik
    Notizen: Abstract We consider the modified conjugate gradient procedure for solving A $$\underline x $$ = $$\underline b $$ in which the approximation space is based upon the Krylov space associated with A 1/p and $$\underline b $$ , for any integer p. For the square-root MCG (p=2) we establish a sharpened bound for the error at each iteration via Chebyshev polynomials in $$\sqrt A$$ . We discuss the implications of the quickly accumulating effect of an error in $$\sqrt A$$ $$\underline b $$ in the initial stage, and find an error bound even in the presence of such accumulating errors. Although this accumulation of errors may limit the usefulness of this method when $$\sqrt A$$ $$\underline b $$ is unknown, it may still be successfully applied to a variety of small, “almost-SPD” problems, and can be used to jump-start the conjugate gradient method. Finally, we verify these theoretical results with numerical tests.
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  • 83
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    Neural processing letters 12 (2000), S. 129-144 
    ISSN: 1573-773X
    Schlagwort(e): associative memory ; dynamical systems ; Glauber dynamics ; Hopfield model ; infinite dimensional state space ; stability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Informatik
    Notizen: Abstract A generalization of the Little–Hopfield neural network model for associative memories is presented that considers the case of a continuum of processing units. The state space corresponds to an infinite dimensional euclidean space. A dynamics is proposed that minimizes an energy functional that is a natural extension of the discrete case. The case in which the synaptic weight operator is defined through the autocorrelation rule (Hebb rule) with orthogonal memories is analyzed. We also consider the case of memories that are not orthogonal. Finally, we discuss the generalization of the non deterministic, finite temperature dynamics.
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  • 84
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    Dynamics and control 10 (2000), S. 47-61 
    ISSN: 1573-8450
    Schlagwort(e): stability ; robust control ; Lyapunov approach ; discrete system
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Elektrotechnik, Elektronik, Nachrichtentechnik
    Notizen: Abstract Control design of nonlinear discrete-time uncertain systems with (possibly fast) uncertain parameters is considered. We study the effect of only partially compensating the uncertainty. The optimal choice of a design parameter, which indicates the amount of compensation, is recommended.
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  • 85
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    Dynamics and control 10 (2000), S. 255-276 
    ISSN: 1573-8450
    Schlagwort(e): continuous-time systems ; frequency weighted model reduction ; gradient flow ; optimization ; stability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Elektrotechnik, Elektronik, Nachrichtentechnik
    Notizen: Abstract Inthis paper, a model reduction technique based on optimizationis presented. The objective function minimized is the impulseenergy of the overall system. An extension of the technique tothe frequency weighted case is also presented, where single-sidedor double-sided weightings can be incorporated in the reductionprocedure. The paper proposes an alternative to find an optimizationsolution by solving ordinary differential equations which aregradient flow associated with the objective function to be minimized.Two examples are presented to illustrate the effectiveness ofthe method.
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  • 86
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    Aquatic geochemistry 6 (2000), S. 1-17 
    ISSN: 1573-1421
    Schlagwort(e): lakes ; density ; compressibility ; expansibility ; conductivity ; stability ; pvt properties
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie , Geologie und Paläontologie
    Notizen: Abstract In recent years, a number of workers have studied the stability of deep lakes such as Lake Tanganyika, Lake Baikal and Lake Malawi. In this paper, the methods that can be used to determine the effect that the components of lakes have on the equation of state are examined. The PVT properties of Lakes have been determined by using apparent molal volume data for the major ionic components of the lake. The estimated PVT properties (densities, expansibility and compressibilities) of the lakes are found to be in good agreement with the PVT properties (P) of seawater diluted to the same salinity. This is similar to earlier work that showed that the PVT properties of rivers and estuarine waters could also be estimated from the properties of seawater. The measured densities of Lake Tanganyika were found to be in good agreement (± 2 × 10-6 g cm-3) with the values estimated from partial molal properties and the values of seawater at the same total salinity (ST = 0.568‰). The increase in the densities of Lake Tanganyika waters increased due to changes in the composition of the waters. The measured increase in the measured density (45 × 10-6 g cm-3) is in good agreement (46 × 10-6 g cm-3) with the values calculated for the increase in Na+, HCO3 -, Mg2+, Ca2+ and Si(OH)4. Methods are described that can be used to determine the conductivity salinity of lakes using the equations developed for seawater. By combining these relationships with apparent molal volume data, one can relate the PVT properties of the lake to those of seawater.
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  • 87
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    Mechanics of composite materials 36 (2000), S. 475-480 
    ISSN: 1573-8922
    Schlagwort(e): stability ; three-dimensional theory ; tribotechnics ; elastoplastic deformations ; viscoelasticity ; surface ; tracking and dead loads ; laminated coating ; piecewise-homogeneous model ; active loading
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau
    Notizen: Abstract The problem of surface instability of laminated coatings with inelastic properties is considered within the framework of a model of piecewise-homogeneous media on the basis of the three-dimensional linearized theory of stability. A general statement of the problem is formulated and the basic characteristic equations are derived. The solutions of particular problems are obtained for elastoplastic and viscoelastic models of solids.
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  • 88
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    Journal of dynamical and control systems 6 (2000), S. 503-510 
    ISSN: 1573-8698
    Schlagwort(e): nonconservative mechanical systems ; stability ; Lyapunov functions ; attraction domain
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Elektrotechnik, Elektronik, Nachrichtentechnik
    Notizen: Abstract Mechanical systems subjected to dissipative, gyroscopic, conservative, and also nonconservative positional forces are considered. The question of the effect of dissipative, gyroscopic, and conservative forces on the motion stability of a mechanical systems is determined by classical Kelvin–Chetaev theorems [1]. The presence of nonconservative positional forces considerably complicates the situation and excludes direct application of these theorems. Applying Lyapunov's functions method the condition of asymptotic stability of a mechanical system under the action of all listed above forces is obtained. Moreover, the estimation of the attraction domain in phase space is found. The precession system which is used in the solution of some problems in the applied theory of the gyroscopic systems is also examined. The connection between the stability of origin and precession systems is detected. Theoretical results are applied to the stabilization problem of stationary motion of the balanced gimbal suspension gyro by means of external moments.
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  • 89
    ISSN: 1573-5060
    Schlagwort(e): Avena ; genetic correlation ; genotype-environmentinteraction ; stability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Land- und Forstwirtschaft, Gartenbau, Fischereiwirtschaft, Hauswirtschaft
    Notizen: Abstract In order to test if selection can improve a population's adaptation to diverse environments simultaneously, three cycles of recurrent selection based on grain yield in Iowa, Idaho, and Norway were practiced in an oat (Avena sativaL.) population developed from North American, Scandinavian, and wild species (A. sterilis L.) germplasm sources. Specific objectives were to determine if selection: increased mean yields across environments and within all environments; changed the genetic correlation of yields in different environments; and changed genetic variation for yield within the population. We evaluated 100 to 210 randomly-chosen families from each cycle of selection at three Iowa locations, in Idaho, and in Norway for two years. Grain yield within each location and mean yields across locations increased significantly over cycles of selection. Mean yields across locations expressed as a percent of the original population mean increased at a rate of 2.6% per year. Several families from the third cycle population exhibited both high mean yields across locations and consistently high yields within all locations. Average genetic correlations of yield in different environments were higher in the second cycle than in the original population. A trend of reduced genetic variation and heritability was observed in Iowa only. These results suggest that we successfully improved mean population yield both within and across locations, and yield stability across environments, and in developing families with outstanding adaptation to diverse environments.
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  • 90
    ISSN: 1573-5168
    Schlagwort(e): amberjack ; myosin heavy chain ; cDNA ; α-helix ; coiled coils ; stability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Biologie
    Notizen: Abstract The structural stability of fish myosin depends upon species and temperatures of water in which fish live. Primary, secondary, and quaternary structures of myosin heavy chain (MyHC) from three species of fish living at different temperature ranges have been compared with those of rabbit MyHC in order to investigate the differences in stability. Primary structure of MyHC, although being accessible for warm-water and cold-water fish (carp and walleye pollack), was not available in previous for tropical-water fish literature; so in this study primary structure of MyHC of the tropical-water fish amberjack has been determined by cloning and sequencing its cDNA. The MyHC has 1938 amino acid residues (AA), which are almost as much as as those of carp and walleye pollack. The amberjack MyHC is 91–95% homologous with other fish and rabbit MyHCs. There is a discernible difference between animal species with stable myosin rod (amberjack, carp, and rabbit) and walleye pollack with unstable rod. Stable rod species have a high probability of forming coiled-coil around the COOH-terminal end of the rod, while the pollack has a low coiled-coil formation probability. In addition, the average scores of the coiled-coil for myosin rod were rabbit (1.738) 〉 amberjack (1.691) 〉 carp (1.680) 〉 walleye pollack (1.674) which correlated exactly with the observed stability. The results suggest that coiled-coil forming ability, particularly around the COOH-terminal end, directs structural stability of fish myosin rod.
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  • 91
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    Journal of inclusion phenomena and macrocyclic chemistry 37 (2000), S. 219-230 
    ISSN: 1573-1111
    Schlagwort(e): porphyrin complexes and clathrates ; coordination oligomers ; supramolecular chemistry ; crystal structure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Eight new crystalline materialsbased on ligand-bridged dimers of either Zn(II)- orCo(II)-tetraphenylporphyrins have been prepared andcharacterized by X-ray diffraction analysis. These supramolecular entities have a ``wheel-and-axle'' typeshape, the elongated bidentate ligands1,3-diaminopropane, 1,4-diaminobutane, 4,4'-bipyridyl, 1,2-bis(4-pyridyl)ethene or1,2-bis(4-pyridyl)ethane coordinating axially on bothsides to the metal centers of the porphyrin species. They vary from one another by the length of the ligandspacer, the distance between the two porphyrincomponents ranging from 9.4 Å to 14.0 Å. Theintermolecular organization in these structures ischaracterized by a similar chain motif in whichadjacent oligomeric units interlock into one another. In spite of the steric constraint imposed by thebridging ligand, this packing preserves the typicalcorrugated stacked arrangement of the porphyrinframeworks which has been commonly observed inclathrates of monomeric tetraarylporphyrins. It alsoinduces in most cases large voids between theinterlocked motifs, causing enclathration of solventmolecules in the crystal lattice. The experimentallyestablished geometries of these oligomers and theircrystal packing modes provide useful information forfurther crystal engineering efforts of polymericmultiporphyrin domains.
    Materialart: Digitale Medien
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  • 92
    Digitale Medien
    Digitale Medien
    Springer
    Multidimensional systems and signal processing 11 (2000), S. 109-124 
    ISSN: 1573-0824
    Schlagwort(e): 2-D linear systems ; optimal control ; stability ; unit memory linear repetitive processes ; numerical methods
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Elektrotechnik, Elektronik, Nachrichtentechnik
    Notizen: Abstract Because many optimal control problems require solution using iterative procedures they fall naturally in the realm of 2-D systems where the two dimensions are response time horizon and iteration index, respectively. The paper uses this observation to employ 2-D systems theory, in the form of unit memory repetitive process techniques, to analyse local stability and convergence behaviour of a continuous optimal control algorithm based on dynamic system optimisation and parameter estimation. Existing work is extended to incorporate unmatched terminal constraints. Necessary and sufficient conditions for stability are obtained whose evaluation require the solution of a difficult eigenvalue problem. The paper shows how solutions can be achieved using numerical and graphical facilities of MATLAB.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 93
    Digitale Medien
    Digitale Medien
    Springer
    Multidimensional systems and signal processing 11 (2000), S. 339-358 
    ISSN: 1573-0824
    Schlagwort(e): 2-D systems ; descriptor systems ; singular systems ; stability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Elektrotechnik, Elektronik, Nachrichtentechnik
    Notizen: Abstract In this paper, we discussthe jump behavior and stability problems for 2-D linear shift-invariantsingular systems under the standard boundary conditions. It isshown that once a boundary condition or the input is inadmissiblein the classical sense, a group of non-causal or backward jumpsof the system states will be incited. This interpretation releasesthe conventional admissibility constraints on the boundary conditionsand inputs. Based on this observation, a systematic stabilitytheory is developed for 2-D singular systems. The well-knownbasic stability theorem for the 1-D singular systems or 2-D regularsystems is thus extended to the 2-D singular case.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 94
    Digitale Medien
    Digitale Medien
    Springer
    Journal of superconductivity 13 (2000), S. 121-128 
    ISSN: 1572-9605
    Schlagwort(e): superconductivity ; crystal structure ; magnetization ; 214
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Elektrotechnik, Elektronik, Nachrichtentechnik , Physik
    Notizen: Abstract The substitution of strontium for lead in the material (La1.5Pb0.5−x Sr x )CuO z , x = 0–0.15 has been carried out. A stable and reproducible single phased superconducting materials can be obtained inside an evacuated quartz tube. The X-ray diffraction pattern shows that the superconducting phase can be indexed on the basis of an orthorhombic symmetry (F mmm) for x = 0 and on the basis of tetragonal symmetry (I 4/mmm) for x 〉 0. The transition temperature T c increases as the strontium substitution parameter x increases. We observed the maximal T c around x = 0.15 with 38 K with fairly large Meissner volume fraction of 38% (FC).
    Materialart: Digitale Medien
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  • 95
    ISSN: 1573-5060
    Schlagwort(e): chile ; double haploid ; pepper ; pungency ; stability ; within-genotype variance
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Land- und Forstwirtschaft, Gartenbau, Fischereiwirtschaft, Hauswirtschaft
    Notizen: Abstract The response, in terms of capsaicinoid content, of chile (Capsicum annuum L.) genotypes to different environments was studied. Double haploidlines, an F1 hybrid, and an open-pollinated cultivar estimated the genotype, environment, and genotype-by-environment interaction effect on the total capsaicinoids and on individual capsaicinoids. Significant differences were observed among the genotypes and among genotype-by-environment interactions over the environments. Among the genotypes in an environment, the within-genotype variances were also significantly different. The double haploid line, HDA 207, had low within-genotype variance for individual and total capsaicinoids, with the exception of the isomer of dihydrocapsaicin. Also for HDA 270, the genotype-by-environment interaction was negligible for individual and total capsaicinoids, Indicating stability across environments.
    Materialart: Digitale Medien
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  • 96
    ISSN: 1573-0778
    Schlagwort(e): CHO cells ; gel microdrops ; human antibody ; population parameters ; productivity ; stability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Biologie , Medizin , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: Abstract The long-term stability of high-level expression is the mostimportant factor to consider when choosing cell lines for the expression of recombinant proteins. Declining volumetricyields in large-scale fermentation can be caused by changes affecting the cell population as a whole such as loss in viability, depletion of nutrients or accumulation of metabolites affecting cell growth. Alternatively, geneticinstability may lead to the outgrowth of a less productive,metabolically favored sub-population. Currently a variety ofparameters are measured to monitor the condition of cells infermenters including glucose uptake, lactate accumulation andoxygen consumption; in addition, periodic viable cell countsallow the determination of the growth rate and viability of the population. All of these methods measure the condition ofthe cell population as a whole and changes must involve a significantly large proportion of the total culture in orderto be detectable. Here we report on a method that allows theevaluation of the productivity of individual cells. Using the gel microdrop secretion assay, we detected the appearance ofa sub-population of cells with lower productivity. Subsequentanalysis of the culture confirmed the existence of lower productivity cells with a lower vector copy number. Therefore,the single cell secretion assay proved to be a rapid method todetect and isolate a low productivity variant of the producer cell line.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 97
    Digitale Medien
    Digitale Medien
    Springer
    Applied mathematics and mechanics 21 (2000), S. 987-994 
    ISSN: 1573-2754
    Schlagwort(e): stability ; chaos ; averaging method ; Galerkin method ; viscoelastic column ; O322
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau , Mathematik , Physik
    Notizen: Abstract The dynamical stability of a homogeneous, simple supported column, subjected to a periodic axial force, is investigated. The viscoelastic material is assumed to obey the Leaderman nonlinear constitutive relation. The equation of motion was derived as a nonlinear integro-partial-differential equation, and was simplified into a nonlinear integro-differential equation by the Galerkin method. The averaging method was employed to carry out the stability analysis. Numerical results are presented to compare with the analytical ones. Numerical results also indicate that chaotic motion appears.
    Materialart: Digitale Medien
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  • 98
    Digitale Medien
    Digitale Medien
    Springer
    Applied mathematics and mechanics 21 (2000), S. 1177-1186 
    ISSN: 1573-2754
    Schlagwort(e): elastic foundation ; pipe conveying fluid ; coupled-mode flutter ; stability ; power series method ; 0353
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau , Mathematik , Physik
    Notizen: Abstract The governing equation of solid-liquid couple vibration of pipe conveying fluid on the elastic foundation was derived. The critical velocity and complex frequency of pipe conveying fluid on Winkler elastic foundation and two-parameter foundation were calculated by power series method. Compared with pipe without considering elastic foundation, the numerical results show that elastic foundation can increase the critical flow velocity of static instability and dynamic instability of pipe. And the increase of foundation parameters may increase the critical flow velocity of static instability and dynamic instability of pipe, thereby delays the occurrence of divergence and flutter instability of pipe. For higher mass ratio β, in the combination of certain foundation parameters, pipe behaves the phenomenon of restabilization and redivergence after the occurrence of static instability, and then coupled-mode flutter takes place.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 99
    Digitale Medien
    Digitale Medien
    Springer
    Applied mathematics and mechanics 21 (2000), S. 1390-1400 
    ISSN: 1573-2754
    Schlagwort(e): suspended solid particles ; continuum phase-coupled model ; stability ; moving jet ; numerical computation ; O359
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau , Mathematik , Physik
    Notizen: Abstract The spatial stability equation of moving jet containing dense suspended solid particles was derived out by means of the continuum phase-coupled model. The stability curves of moving jet for different downstream distances, Reynolds number of flow-field, particle properties and velocities of jetting device are got by the finite difference method based on the asymptotic method and the Eulerian conservative difference scheme. Founded on the analysis of the obtained stability curves it is found that the positive velocity of jetting device widens the unstable frequency range of flow-field but the effect of the negative one is contrary. In addition, particles existing in the flow-field curb the instability of flow-field and the effect enhances with the decrease of Reynolds number of flow-field. These conclusions benefit learning the development of moving two-phase jet.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 100
    Digitale Medien
    Digitale Medien
    Springer
    Applied mathematics and mechanics 21 (2000), S. 209-216 
    ISSN: 1573-2754
    Schlagwort(e): composite material ; rotational shell ; stability ; nonlinear ; O347.3
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau , Mathematik , Physik
    Notizen: Abstract By adopting the energy method, a new method to calculate the stability of the composite shell of revolution is presented. This method takes the influence of nonlinear prebuckling deformations and stresses on the buckling of the shell into account. The relationships between the prebuckling deformations and strains are calculated by nonlinear Kármán equations. The numerical method is used to calculate the energy of the total system. The nonlinear equations are solved by combining gradient method and amendatory Newton iterative method. The computer program is also developed. An example is given to demonstrate the accuracy of the method presented.
    Materialart: Digitale Medien
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