Bibliothek

X
feed icon rss

Ihre E-Mail wurde erfolgreich gesendet. Bitte prüfen Sie Ihren Maileingang.

Leider ist ein Fehler beim E-Mail-Versand aufgetreten. Bitte versuchen Sie es erneut.

Vorgang fortführen?

Exportieren
  • 1
    Digitale Medien
    Digitale Medien
    Topological localized molecular orbitals (1983)
    Springer
    Theoretical chemistry accounts 62 (1983), S. 265-275 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Topology ; Localized molecular orbitals ; Hückel method
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Intrinsic and external π-orbital localization procedures which rely only on molecular topology are proposed and discussed. Localized molecular orbitals obtained by application of these procedures are referred to as ‘topological localized molecular orbitals”.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00548840
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 2
    Digitale Medien
    Digitale Medien
    Topological localized molecular orbitals (1983)
    Springer
    Theoretical chemistry accounts 62 (1983), S. 277-291 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Topology ; Localized molecular orbitals ; Aromatic hydrocarbons
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Localized molecular Orbitals for the π-systems of a series of polycyclic aromatic hydrocarbons have been obtained by a topological procedure. These “topological localized molecular orbitals” (TLMO's) are shown to be in good accordance with those obtained using more sophisticated methods. TLMO's can be associated to the Kekulé structure of largest Kekulé index. Secondary Kekulé structures as well as excited valence bond ones are studied by means of an external variant of the localization procedure.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00548841
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 3
    Digitale Medien
    Digitale Medien
    Localized molecular orbitals for multiple bonds in the ZDO approximation: The σ-π vs. banana bonds dilemma (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 383-403 
    Details
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The multiple bond description supplied by localized molecular orbitals obtained within the ZDO approximation is analyzed. In particular, conditions for the appearance of σ-π separation and of continuous degeneracy of the localization sum against σ-π mixing are given for two current ZDO energy- and density-localization methods. Likewise, a convenient modification of the latter is presented together with some illustrative examples.
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/qua.560260307
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
Schließen ⊗
Diese Webseite nutzt Cookies und das Analyse-Tool Matomo. Weitere Informationen finden Sie hier...