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  • 1970-1974  (2)
  • 1890-1899
  • 1870-1879
  • Atomic, Molecular and Optical Physics  (1)
  • Documentation  (1)
Materialart
Erscheinungszeitraum
  • 1970-1974  (2)
  • 1890-1899
  • 1870-1879
Jahr
  • 1
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 8 (1974), S. 427-433 
    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: A simple equation for the evaluation of resonance integrals from overlap integrals and ionization potentials of the molecular fragments is suggested for molecules-in-molecules π electron calculations. The singlet π → π* transition energies of some benzene derivatives containing donor substituents were calculated. The best results were obtained if in the expression of the resonance integral the first experimental ionization potential of the methyl derivative of the donor groups is used.
    Zusätzliches Material: 4 Tab.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 2
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Angewandte Chemie International Edition in English 9 (1970), S. 576-583 
    ISSN: 0570-0833
    Schlagwort(e): Documentation ; Chemistry ; General Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The documentation system operated by the IDC Internationale Dokumentationsgesellschaft für Chemie mbH uses electronic data processing methods. It allows the storage and retrieval of structures, reactions, and nonstructural keyword information. Structures and reactions are coded as terms of a faceted classification, while keywords are stored in clear text. 900000 formulas from patent and journal publications, including many Markush formulas, have now been stored on magnetic tape. Searches in this store are carried out with IDC programs, which require an average computer time of less than 1 minute per inquiry (CPU time). The structure terms can be produced by computer from topological records. The field covered at present is low molecular weight organic chemistry, though extension to macromolecular chemistry is feasible, and is in fact planned.
    Zusätzliches Material: 9 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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