Library

feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
Filter
  • Articles: DFG German National Licenses  (2)
  • Electronic Resource  (2)
  • 1975-1979  (1)
  • 1960-1964  (1)
  • Chemistry  (1)
  • Computational Chemistry and Molecular Modeling  (1)
Source
  • Articles: DFG German National Licenses  (2)
Material
  • Electronic Resource  (2)
Years
Year
Keywords
  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 9 (1975), S. 261-271 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The π-electronic structure and spectra of the protonated aromatic carboxylic acids, aldehydes and ketones have been calculated by the Pariser-Parr-Pople method. An essential modification was that the positive charge has been considered as delocalized within the substituent group. The best agreement for the cation of benzoic acid was obtained using a symmetric carboxy model with equal charges on both oxygen atoms. This model gave equally good results for the protonated fluoro-, chloro- and methylbenzoic acids, as well. The delocalized charge model was successfully applied in the calculation of aromatic aldehydes and ketones. The methyl group was treated both as a one- and as a two-centre substituent.
    Additional Material: 7 Tab.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 2
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 325 (1963), S. 43-46 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The solution and reflection spectra of the K4[Fe(CN)6] and K3[Fe(CN)6] complexes and those of Berliner- and Turnbull's blue have been measured. The dark colour of the latter compounds both in solution and in solid state is interpreted on the basis of an electron-transfer model.
    Notes: Es wurden die Lösungsspektren der K4[Fe(CN)6] und K3[Fe(CN)6] Komplexe und des Berliner- und Turnbullblaues in Wasser, weiterhin die Reflexionsspektren der letzteren Verbindungen gemessen. Unter Zuhilfenahme der Kristallstruktur des Berliner- und Turnbullblaues konnte die Lichtbeständigkeit und die tiefe Farbe der Mischlösungen und der kristallinen Salze mit Hilfe eines Elektronenübersprungsmodelles erklärt werden.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...