QSPR approach to the calculation of rate constants of homolysis of nitro compounds in different states of aggregation |
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| Authors: | D. V. Sukhachev T. S. Pivina N. I. Zhokhova N. S. Zefirov S. Zeman |
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| Affiliation: | (1) N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky prosp., 117913 Moscow, Russian Federation;(2) Department of Chemistry, M. V. Lomonosov Moscow State University, Vorob'evy Gory, 119899 Moscow, Russian Federation;(3) University of Pardubice, CZ-532 10 Pardubice, Czech Republic |
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| Abstract: | ![]()
A method for the theoretical estimation and prediction of rate constants of homolysis of nitro compounds of different chemical classes in the gas phase is proposed on the basis of the QSPR approach.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1653–1656, September, 1995.The authors express gratitude to B. A. Lur'e (D. I. Mendelev Moscow Academy of Chemical Technology) for fruitful advice during discussion of the results. |
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| Keywords: | QSPR approach rate constants nitro compounds, homolysis, gas phase |
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