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Reduction of nitrat...
Reduction of nitrated phenols : A method to predict half-wave-potentials of nitrated phenols with molecular modeling
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- Hauk, A. (author)
- Chair of Ecological Chemistry and Geochemistry, University of Bayreuth, Bayreuth, Germany
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- Richartz, H. (author)
- Chair of Ecological Chemistry and Geochemistry, University of Bayreuth, Bayreuth, Germany
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- Schramm, K. W. (author)
- Chair of Ecological Chemistry and Geochemistry, University of Bayreuth, Bayreuth, Germany
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- Fiedler, Heidelore, 1953- (author)
- Chair of Ecological Chemistry and Geochemistry, University of Bayreuth, Bayreuth, Germany
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(creator_code:org_t)
- Elsevier, 1990
- 1990
- English.
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In: Chemosphere. - : Elsevier. - 0045-6535 .- 1879-1298. ; 20:6, s. 717-728
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- 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.
Subject headings
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
- NATURVETENSKAP -- Geovetenskap och miljövetenskap -- Miljövetenskap (hsv//swe)
- NATURAL SCIENCES -- Earth and Related Environmental Sciences -- Environmental Sciences (hsv//eng)
Keyword
- Polarography; half-wave-potential; semi-empirical quantum mechanic model; frontier orbital
- Kemi
- Chemistry
- Enviromental Science
- Miljövetenskap
Publication and Content Type
- ref (subject category)
- art (subject category)
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