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  • Biochemistry  (1)
  • Correlation energy  (1)
  • Density functional  (1)
  • Disputed paternity, superfetation  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Ein Zwillingsfall mit wahrscheinlicher Superfetatio (1980)
    Springer
    International journal of legal medicine 84 (1980), S. 319-321 
    Details
    ISSN: 1437-1596
    Keywords: Superfetation ; Disputed paternity, superfetation ; Superfetatio ; Abstammungsbegutachtung, Superfetatio
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Law
    Description / Table of Contents: Zusammenfassung Es wird über einen Zwillingsfall mit wahrscheinlicher Superfetatio (Überfruchtung) berichtet. Der Beklagte konnte aufgrund von Dominanzausschlüssen in den HLA-, GLO- und Ss-Merkmalsystemen als Vater des einen Zwillings ausgeschlossen werden, während seine Vaterschaft zum anderen Zwilling mit W = 99,995% als „praktisch erwiesen“ anzusehen ist. Eine Differenz von 450 g im Geburtsgewicht der Zwillinge, sowie die Aussage der Kindesmutter über Mehrverkehr, sprechen für das Vorliegen einer Superfetatio.
    Notes: Summary A twin case of disputed paternity with probable superfetation is reported. The putative father could be excluded as the father of Twin F by HLA, GLO, and Ss typing results, but could not be excluded as the father of Twin S, with a probability of paternity for this twin of 99.995%. A birth weight difference of 450 g and the evidence for additional sexual intercourses by the mother suggest the very rare event of a superfetation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02098755
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    An application of correlation energy density functionals to atoms and molecules (1986)
    Springer
    Theoretical chemistry accounts 70 (1986), S. 407-419 
    Details
    ISSN: 1432-2234
    Keywords: Correlation energy ; Density functional ; First-row atoms ; First-row hydrides ; First-row dimers
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Four density functionals — including that recently introduced by Perdew ((1986) Phys Rev B33: 8822)—are tested for first-row atoms, hydrides and dimers. Calculated contributions of the correlation energy to the ionization potentials and electron affinities of atoms and to the dissociation energies of molecules are compared with “empirical” values which were reevaluated for this purpose. An improvement over Hartree-Fock is found in all cases if the self-interaction or the gradient correction are included in the density functional, although there is a rather large variation in the accuracy of the predictions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00531922
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Pseudopotential calculations for methyl compounds of zinc and magnesium (1990)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 11 (1990), S. 1029-1037 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Pseudopotentials and valence basis sets to be used in calculations for organometallic compounds of zinc and magnesium have been tested in calculations for the M(CH3)n (M = Zn, Mg; n = 1,2) molecules. Valence correlation effects are treated at the SDCI and CEPA levels. The capability of a polarization potential on zinc to account for the valence shell contracting effect of core valence correlation is studied. Properties considered are geometries, force constants, Mulliken populations, ionization potentials, atomization, and binding energies. Differences in bonding between the two dimethyl compounds are discussed.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540110905
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    Paper (German National Licenses)
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