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  • Electronic Resource  (3)
  • 1995-1999  (3)
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  • Electronic Resource  (3)
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  • 1
    Electronic Resource
    Electronic Resource
    Spin-resolved X-ray absorption near edge structure (XANES) simulation of metmyoglobin (1998)
    Springer
    European biophysics journal 27 (1998), S. 541-548 
    Details
    ISSN: 1432-1017
    Keywords: Key words Hemoproteins ; Synchrotron radiation ; Multiple scattering
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Physics
    Notes: Abstract Spin resolved multiple scattering (MS) calculations of Fe K-edge X-ray Absorption Near Edge Structure (XANES) of myoglobin are reported for the first time. The observed differences of the Fe K-edge XANES spectra of sperm whale metmyoglobin under spin transition as a function of temperature have been studied. The method allows one to compute separately spin effects and local structural effects. The results show that spin effects are confined in the absorption rising edge in the range 7111–7130 eV, while purely structural effects are dominant in the range 7130–7170 eV. Symmetry changes of the Fe coordination sphere mainly related to its movement towards the heme plane, coupled to an increase of axial asymmetry, can explain the XANES changes observed above 7130 eV without an appreciable change of the Fe-Np distance.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s002490050164
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Free electronic states of UO2: Analysis of x-ray absorption by total multiple scattering (1999)
    Springer
    Physics of the solid state 41 (1999), S. 1268-1270 
    Details
    ISSN: 1063-7834
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The experimentally observed x-ray absorption spectrum of oxygen in UO2 is analyzed theoretically. The experimental absorption spectrum of oxygen is shown to agree well with details of the density of free p states of oxygen in the conduction band. It is found that a minimum cluster of atoms surrounding an absorbing oxygen ion required to reproduce all the details of the fine structure of the density of states at the bottom of the conduction band is of the order of 40 atoms. An analysis of the densities of the electronic states reveals the existence of hybridization of free p states of oxygen with s states of uranium in the conduction band of UO2, as well as the exclusion of p states of oxygen by d states of uranium beyond the confines of the energy interval where they are localized.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1134/1.1130979
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    High-transmission focusing X-ray diffractor: Numerical simulation of the reflecting surface (1999)
    Springer
    Technical physics letters 25 (1999), S. 763-765 
    Details
    ISSN: 1090-6533
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Models of stepped x-ray diffractors of a new type with ellipsoidal and toroidal step surfaces are calculated in the point x-ray source approximation. The Monte Carlo method is used to obtain an image of the diffraction zones of reflection and to investigate the influence of surface curvature on the shape and area of these zones.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1134/1.1262627
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    Paper (German National Licenses)
    Fulltext
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