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  • 82.65  (3)
  • Abstammungsbegutachtung, Superfetatio  (1)
  • Bond theory  (1)
  • Correlation energy  (1)
  • 1
    Digitale Medien
    Digitale Medien
    Ein Zwillingsfall mit wahrscheinlicher Superfetatio (1980)
    Springer
    International journal of legal medicine 84 (1980), S. 319-321 
    Details
    ISSN: 1437-1596
    Schlagwort(e): Superfetation ; Disputed paternity, superfetation ; Superfetatio ; Abstammungsbegutachtung, Superfetatio
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Medizin , Rechtswissenschaft
    Beschreibung / Inhaltsverzeichnis: 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.
    Notizen: 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.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF02098755
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  • 2
    Digitale Medien
    Digitale Medien
    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
    Schlagwort(e): Correlation energy ; Density functional ; First-row atoms ; First-row hydrides ; First-row dimers
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: 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.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00531922
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  • 3
    Digitale Medien
    Digitale Medien
    Quantum chemical investigations of the latent image formation (1990)
    Springer
    The European physical journal 15 (1990), S. 79-86 
    Details
    ISSN: 1434-6079
    Schlagwort(e): 31.20 ; 36.40 ; 82.65
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract The alternating process of adsorption of Ag+ and trapping of a photoelectron on a (100) AgBr surface is investigated by quantum chemical calculations. The results give some insight into the initial steps of the photographic process (absorption of two photons which lead to the formation of a sublatent image).
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01436914
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  • 4
    Digitale Medien
    Digitale Medien
    Quantum chemical investigations of the latent image formation (1987)
    Springer
    The European physical journal 6 (1987), S. 193-198 
    Details
    ISSN: 1434-6079
    Schlagwort(e): 31.15 ; 36.40 ; 82.65
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract Having studied free silver clusters by quantum chemical calculations we now present a method to take into account the influence of a silver halide surface on adsorbed silver clusters. The model for the surface will be a silver halide cluster as frozen crystal section. The interactions are discussed in detail; a new bromide pseudopotential may be of special interest. Results with this method will be given in subsequent papers.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01384605
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  • 5
    Digitale Medien
    Digitale Medien
    Quantum chemical investigations of the latent image formation (1987)
    Springer
    The European physical journal 6 (1987), S. 287-292 
    Details
    ISSN: 1434-6079
    Schlagwort(e): 31.20 ; 36.40 ; 82.65
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract The adsorption of Ag+ and Ag on a (100) AgBr surface is investigated. Interstitial subsurface sites and incomplete surfaces (with ledges and kinks) are also considered. Equilibrium geometries, adsorption energies and ionization potentials have been calculated. Migration of neutral Ag on the surface and crystal growth of AgBr are discussed, and a comparison with other theoretical results is given.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01436676
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  • 6
    Digitale Medien
    Digitale Medien
    Modern Theoretical Views on the Chemical Bond (1965)
    Weinheim : Wiley-Blackwell
    Angewandte Chemie International Edition in English 4 (1965), S. 660-670 
    Details
    ISSN: 0570-0833
    Schlagwort(e): Theoretical chemistry ; Wave mechanics ; Bond theory ; Chemistry ; General Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Starting from classical concepts, semi-empirical approaches to an understanding of the chemical bond are critically discussed, particularly with respect to their limitations. Rules such as the additivity of the bond constants and the octet rule are reviewed in relation to new chemical compounds. It is shown that these rules are not sufficient to explain chemical bonding; this is also true of the simple concept of hybridization, the basis of which is discussed. Some generally valid statements regarding the chemical bond can be propounded on the bais of wave-mechanical considerations. It is shown that the hybridization concept and a number of other rules are too primitive to provide generally valid information or a basis for predictions about the chemical bond, and even that they are partly based on false premises. A better foundation for an understanding of the chemical bond can only be laid with the aid of wave mechanics.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/anie.196506601
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