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Quantum-chemical calculations by the MNDO method of the pre-exponential factor for the homolytic decomposition of aliphatic nitro and α-fluoronitro compounds in the gas phase

  • Physical Chemistry
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Bulletin of the Academy of Sciences of the USSR, Division of chemical science Aims and scope

Abstract

The MNDO method has been used to calculate the pre-exponential factor A for the homolytic decomposition of aliphatic nitro and α-fluoronitro compounds. It is shown that the high value of A is due to the decrease in the frequencies of the deformation vibrations in the activated complexes.

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Authors and Affiliations

  1. N. D. Zelinskii Institute of Organic Chemistry, Academy of Sciences of the USSR, Moscow

    K. I. Rezchikova, V. N. Solkan & S. L. Kuznetsov

Authors
  1. K. I. Rezchikova
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  2. V. N. Solkan
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  3. S. L. Kuznetsov
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Additional information

Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 2, pp. 339–344, February, 1990.

The authors are grateful to K. Ya. Burshtein for his helpful criticism in discussing this work.

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Rezchikova, K.I., Solkan, V.N. & Kuznetsov, S.L. Quantum-chemical calculations by the MNDO method of the pre-exponential factor for the homolytic decomposition of aliphatic nitro and α-fluoronitro compounds in the gas phase. Russ Chem Bull 39, 283–286 (1990). https://doi.org/10.1007/BF00960653

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  • DOI: https://doi.org/10.1007/BF00960653

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