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  • s-Tetrazine  (1)
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    Electronic Resource
    Springer
    Theoretical chemistry accounts 77 (1990), S. 343-357 
    ISSN: 1432-2234
    Keywords: Spectroscopic MRINDO/S ; s-Triazine ; s-Tetrazine ; Pentazine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary MRINDO/S calculation completed by singly excited configuration interaction was performed on the higher aziness-triazine,s-tetrazine and pentazine. The results enable the main characteristics of the observed electronic spectra to be interpreted. The importance of outer (Rydberg) atomic orbitals is stressed and it is found that a few singlet-singlet transitions of the higher azines lead to an excited state with considerable Rydberg character.
    Type of Medium: Electronic Resource
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