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  • International Union of Crystallography (IUCr)  (3)
  • 1980-1984  (3)
  • 1984
  • 1983  (3)
  • 1980
Collection
Publisher
Years
  • 1980-1984  (3)
Year
  • 1984
  • 1983  (3)
  • 1980
  • 1982  (2)
  • 1
    Electronic Resource
    Electronic Resource
    Nicotinic acid, C6H5NO2: refinement (1983)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 232-234 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270183004230
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    A method for determining the charge in the peaks of deformation densities (1983)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 899-901 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: If electron density distributions of different provenance need to be compared, the evaluation of the charge contents of peaks in deformation densities is useful (besides the usual comparison of density sections). Since deformation peaks are often of approximately ellipsoidal shape, a procedure is proposed in which a rotation ellipsoid is placed in the peak position so that it encloses the peak and separates it from the neighbouring peaks. The charge contents of the peaks are calculated by numerical integration where positive; zero and negative values of the electron density are treated separately. This can be achieved by a minor alteration of a standard Fourier program. Numerical results are presented for p-dicyanobenzene. The C-C bond peaks contain 0.19-0.26 electrons, and the C-N bond peak about 0.26 electrons.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108767383001804
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Benzenehexacarbonitrile at 120 K, C12N6 (1983)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 638-640 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270183005752
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    Paper (German National Licenses)
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