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  • 1
    Electronic Resource
    Electronic Resource
    Structure and solvation of nitrobenzene and 1,4-dinitrobenzene radical anions (1979)
    Springer
    Theoretical chemistry accounts 51 (1979), S. 65-78 
    Details
    ISSN: 1432-2234
    Keywords: INDO method with inclusion of an effective solvent field ; Nitrobenzene ; 1,4-dinitrobenzene radical anions, spin distribution and geometries of ∼
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract An INDO method extended to include a contribution from the solvent by means of an effective solvent field (INDO-ESF) and based on properly optimized geometries is applied to the nitrobenzene and 1,4-dinitrobenzene radical anions. The hyperfine couplings and their solvent sensitivities are reproduced within a planar structure of the radicals. The behaviour of14N and17O splittings in derivatives with twisted nitro groups is accounted for with no difficulty.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00554232
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Structure and solvation of nitrobenzene and 1,4-dinitrobenzene radical anions (1979)
    Springer
    Theoretical chemistry accounts 51 (1979), S. 65-78 
    Details
    ISSN: 1432-2234
    Keywords: INDO method with inclusion of an effective solvent field ; Nitrobenzene ; 1,4-dinitrobenzene radical anions, spin distribution and geometries of ∼
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract An INDO method extended to include a contribution from the solvent by means of an effective solvent field (INDO-ESF) and based on properly optimized geometries is applied to the nitrobenzene and 1,4-dinitrobenzene radical anions. The hyperfine couplings and their solvent sensitivities are reproduced within a planar structure of the radicals. The behaviour of14N and17O splittings in derivatives with twisted nitro groups is accounted for with no difficulty.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02399131
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
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