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  • Hauk, A., et al. (author)
  • Reduction of nitrated phenols : A method to predict half-wave-potentials of nitrated phenols with molecular modeling
  • 1990
  • In: Chemosphere. - : Elsevier. - 0045-6535 .- 1879-1298. ; 20:6, s. 717-728
  • Journal article (peer-reviewed)abstract
    • The redox stability of 13 nitrated phenols was investigated using polarographic measured half-wave-potentials. These half-wave-potentials were compared with data from a semi-empirical quantum mechanic computer model. A good correlation was found between LUMO energy and the half-wave-potential for phenols, but for phenolates the correlation coefficient was lower, even when a multivariate regression model was used.
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Type of publication
journal article (1)
Type of content
peer-reviewed (1)
Author/Editor
Fiedler, Heidelore, ... (1)
Schramm, K.-W. (1)
Hauk, A. (1)
Richartz, H. (1)
University
Örebro University (1)
Language
English (1)
Research subject (UKÄ/SCB)
Natural sciences (1)
Year
1990 (1)

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