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QSPR approach to the calculation of rate constants of homolysis of nitro compounds in different states of aggregation

1. The gas phase

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Russian Chemical Bulletin Aims and scope

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.

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Authors and Affiliations

  1. N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky prosp., 117913, Moscow, Russian Federation

    D. V. Sukhachev & T. S. Pivina

  2. Department of Chemistry, M. V. Lomonosov Moscow State University, Vorob'evy Gory, 119899, Moscow, Russian Federation

    N. I. Zhokhova & N. S. Zefirov

  3. University of Pardubice, CZ-532 10, Pardubice, Czech Republic

    S. Zeman

Authors
  1. D. V. Sukhachev
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  2. T. S. Pivina
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  3. N. I. Zhokhova
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  4. N. S. Zefirov
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  5. S. Zeman
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Additional information

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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Sukhachev, D.V., Pivina, T.S., Zhokhova, N.I. et al. QSPR approach to the calculation of rate constants of homolysis of nitro compounds in different states of aggregation. Russ Chem Bull 44, 1585–1588 (1995). https://doi.org/10.1007/BF01151274

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  • DOI: https://doi.org/10.1007/BF01151274

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