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  • 1980-1984  (8)
  • Atomic, Molecular and Optical Physics  (5)
  • Cell & Developmental Biology  (3)
  • Photochemistry
  • 1
    Digitale Medien
    Digitale Medien
    Pseudopotential calculations including core-valence correlation: Alkali and noble-metal compounds (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 725-727 
    Details
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A summary is given of our recently developed semiempirical pseudopotentials and their applications, and new results are presented on the K2 molecule.
    Zusätzliches Material: 1 Tab.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/qua.560260512
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  • 2
    Digitale Medien
    Digitale Medien
    Stieltjes orbitals for molecular photoexcitation and ionization spectra: N → Vσ and N → V π resonance features in CO and H2CO cross sections (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 719-734 
    Details
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Computational studies are reported of Stieltjes orbitals for Hilbert-space descriptions of discrete and continuum molecular electronic eigenstates. Particular attention is focused on the identification of N → V π(π → π*) and N → Vσ(σ → σ*) intravalence contributions to photoexcitation and ionization spectra in CO and H2CO molecules. Three-dimensional graphical representations of appropriate Stielties orbitals serve to identify the σ → σ* transitions of Mulliken as photoionization resonances above threshold in these compounds, whereas the corresponding π → π* contributions are spectrally localized as familiar discrete excited states. The development illustrates the nature and properties of Stieltjes orbitals, and demonstrates their utility in studies of both discrete and continuum excitation spectra on a common basis.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/qua.560260864
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  • 3
    Digitale Medien
    Digitale Medien
    Spin-orbit coupling for the motion of a particle in a ring-shaped potentialDedicated to Professor Dr. Willy Hartner on the occassion of his 75th birthday. (1980)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 18 (1980), S. 125-141 
    Details
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: As is known, the Schrödinger equation for a particle in the ring-shaped potential V(r,v) = ησ2(2a0/r-a02/r2 sin2v)ε0, defined in the whole space, has been solved exactly. Here the eigenfunctions are represented in a form which is advantageous for concrete evaluations. The spin-orbit interaction energy ELS in quasirelativistic approximation is determined analytically, for the first time with a nonspherically symmetric potential. The influence of spin-orbit interaction on the eigenvalues of the spin-free problem and on the selection rules for electrical dipole transitions are investigated as well as the dependence of ELS on the position and depth of the potential minimum. The model can be useful for investigations of axial symmetric subjects like the benzene molecule or related problems and may be easily extended to a many-electron theory.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/qua.560180119
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  • 4
    Digitale Medien
    Digitale Medien
    Classical nonlinear field theory of chemical bondingPresented at the Third International Congress of Quantum Chemistry, held at Kyoto, Japan, 29 October-3 November 1979. (1980)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 18 (1980), S. 1491-1503 
    Details
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A certain type of classical nonlinear field theory of chemical bonding has been proposed. The interaction between two neighboring atoms is assumed to be nonlinear. The coupled field equations are decoupled applying the methods of parametrization. The field energy associated with the coupled field has been determined perturbation theoretically. The chemical bonding energy equivalent to the change of field energy due to the coupling has been expressed in a closed form. The bonding energies of the molecules Li2, Na2, and K2 are evaluated.
    Zusätzliches Material: 4 Tab.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/qua.560180616
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  • 5
    Digitale Medien
    Digitale Medien
    Löwdin partitioning in a Lanczos basis: Applications to scattering states (1983)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 23 (1983), S. 135-146 
    Details
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Methods are reported for construction of closed-form optical potentials that provide useful L2-basis-set approximations to the discrete and continuum Schrödinger states of self-adjoint Hamiltonian operators. The potentials are obtained employing information from a finite (Lanczos) reference space only, but nevertheless correspond to explicit summation over an infinite-dimensional remainder space. Connections are indicated between the Stieltjes-Tchebycheff orbital solutions of the resulting optical-potential Schrödinger problem and previously described corresponding moment-theory approximations to spectral densities and distributions. Use of a Lanczos basis insures that the orbital eigenvalues are generalized Gaussian or Radau quadrature points of the spectral density, and that their (reciprocal) norms provide the associated quadrature weights. Convergence of the orbitals in the limit of high order is obtained to Schrödinger eigenstates of finite norm in the discrete spectral region, and to scattering states of improper (infinite) norm in the essential portion of the spectrum. In finite orders the spatial characteristics of the Stieltjes-Tchebycheff orbitals correspond to spectral averages in the neighborhoods of the quadrature points over the correct Schrödinger states. Explicit closed-form expressions are obtained for the spectral content of individual orbitals in terms of orthogonal polynomials without reference to the correct Schrödinger states. A computational application to regular Coulomb l waves illustrates the nature and convergence of the development.
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/qua.560230115
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  • 6
    Digitale Medien
    Digitale Medien
    Quantitative analysis of intramembranous particles in the membranous system of rat liver cells at different stages of development and aging (1981)
    New York, NY : Wiley-Blackwell
    Journal of Morphology 170 (1981), S. 133-146 
    Details
    ISSN: 0362-2525
    Schlagwort(e): Life and Medical Sciences ; Cell & Developmental Biology
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Biologie , Medizin
    Notizen: The density of intramembranous protein particles was studied by freeze-fracture. Particle density on the fracture faces of the plasmalemma and the rough endoplasmic reticulum (RER), as well as the outer and inner membranes of the nucleus and the mitochondria in rat hepatocytes were quantified. Comparison among different age groups sampled days postcoitum (dpc), days postpartum (dpp), and months postpartum (mpp) shows age-related changes in particle density in each membrane system. With the exception of the RER, particle densities increased after the 16th dpc, reached a maximum at birth, and then decreased with increasing age. Simultaneously, the number nuclear pores shows a positive correlation with the particle density of the nuclear membranes. The particle density on the membranes of the RER shows a maximum on the 16th dpc, and on the 6th dpp. Thereafter, the density of the RER decreases slightly. In all membrane systems, the density of the particles on the external fracture faces is more variable than the density of the particles on the protoplasmic fracture faces.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/jmor.1051700202
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  • 7
    Digitale Medien
    Digitale Medien
    A simian virus 40-encoded protein of Mr 74,000 daltons is structurally related to the capsid proteins of the virus (1983)
    New York, N.Y. : Wiley-Blackwell
    Journal of Cellular Biochemistry 22 (1983), S. 197-207 
    Details
    ISSN: 0730-2312
    Schlagwort(e): SV40 ; structural proteins ; immunoprecipitation ; tryptic peptide analysis ; Life and Medical Sciences ; Cell & Developmental Biology
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Biologie , Chemie und Pharmazie , Medizin
    Notizen: We have demonstrated the synthesis of a 74,000-dalton protein (74K protein) in African green monkey kidney cells infected with simian virus (SV)40. The 74K protein was detected late during the lytic cycle. Its synthesis was inhibited by arabinosyl cytosine as was the synthesis of the capsid proteins. Monospecific antibodies raised against VP1 and VP3 precipitated the structural proteins and the 74K protein. The 74K protein was not found in purified virions. Tryptic peptide analysis demonstrated that the 74K protein shares methionine- and serine-containing peptides with VP1 and VP3 and thus is structurally related to the capsid proteins.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/jcb.240220402
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  • 8
    Digitale Medien
    Digitale Medien
    Cross-reactivity of antibodies against synthetic peptides (1982)
    New York, N.Y. : Wiley-Blackwell
    Journal of Cellular Biochemistry 19 (1982), S. 119-125 
    Details
    ISSN: 0730-2312
    Schlagwort(e): SV40 ; polyoma ; tumor antigens ; cellular proteins ; immunoprecipitation ; Life and Medical Sciences ; Cell & Developmental Biology
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Biologie , Chemie und Pharmazie , Medizin
    Notizen: Antiserum against the synthetic peptide Lys-Arg-Ser-Arg-His-Phe, corresponding to the carboxy terminus of polyoma virus medium tumor antigen (medium T antigen), immunoprecipitates a protein of 36,000 daltons from polyoma virus-infected and uninfected cell extracts treated with the sulfhydryl group reagent N-ethyl-maleimide. This protein appears to share an antigenic determinant with medium T antigen that is normally buried inside the protein or covered up by another protein or cellular structure. The two-dimensional tryptic fingerprints of the 36K protein and of medium T antigen are apparently unrelated to each other. Antiserum against the octapeptide Ac-Met-Asp-Lys-Val-Leu-Asn-Arg-Tyr, including the amino-terminal heptapeptide sequence of the simian virus 40 (SV40) large tumor (T) and small T antigens, cross-reacts with polyoma virus large T antigen, which has an identical amino-terminal heptapeptide sequence except that Lys is replaced by Arg and Asn by Ser. The problem of cross-reactivities of antipeptide sera is discussed.
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/jcb.240190203
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