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  • Cu  (1)
  • Key words: Nature of bonding for Fe(CO)n(n = 1–3) – Complete-active-space self-consistent-field method – Multireference configuration interaction – Mulliken population analysis – Charge density difference map  (1)
  • Springer  (2)
  • 2000-2004  (2)
  • 1935-1939
  • 1
    Electronic Resource
    Electronic Resource
    A New Method of Analyzing Edge Effect in Phase Contrast Imaging with Incoherent X-rays (2000)
    Springer
    Optical review 7 (2000), S. 566-572 
    Details
    ISSN: 1349-9432
    Keywords: phase contrast ; incoherent X-ray ; edge effect ; half-width of edge enhancement ; Cu ; Mo ; W anodes X-ray tubes ; refraction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A method has been devised to calculate the half-width of the phase contrast enhanced edge of an X-ray- image with incoherent X-rays. This method is based on changes in the wave fronts of X-rays after penetrating an object, and it takes into account the blur due to penumbra observed in practical radiographic imaging. The method closely predicted edge enhancement when images of a plastic fiber were produced with practical X-ray tubes (Cu, Mo, and W anodes with focus-diameters of 10,100, and 40 μ, respectively). Thus, the method shows promise in facilitating phase contrast X-ray imaging in both medical radiography and non-destructive inspection using incoherent X-rays from X-ray tubes with substantial focus-sizes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s10043-000-0566-z
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  • 2
    Electronic Resource
    Electronic Resource
    Ab initio molecular orbital study of Fe(CO) n (n = 1–3) (2000)
    Springer
    Theoretical chemistry accounts 104 (2000), S. 140-145 
    Details
    ISSN: 1432-2234
    Keywords: Key words: Nature of bonding for Fe(CO)n(n = 1–3) – Complete-active-space self-consistent-field method – Multireference configuration interaction – Mulliken population analysis – Charge density difference map
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract. Geometry optimization was performed for the ground states of FeCO, Fe(CO)2, and Fe(CO)3 at various levels of ab initio calculations, and the bond lengths and dissociation energies obtained were in reasonable agreement with experimental results. The nature of bonding was studied for these molecules using a complete-active-space self-consistent-field method. From the Mulliken population analysis, it was found that the traditional donation and back donation mechanism is valid for these molecules, including Fe(CO)3, which has a pyramidal structure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s002140000128
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