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Theoretical study of substituents effect on C–NO2 bond strength in mono substituted nitrobenzenes

  • Published:2013-08 Issue: Volume:1017 Page:7-13
  • ISSN:2210-271X
  • Container-title:Computational and Theoretical Chemistry
  • language:en
  • Short-container-title:Computational and Theoretical Chemistry

Author:

Khrapkovskii G.M.,Sharipov D.D.,Shamov A.G.,Egorov D.L.,Chachkov D.V.,Nguyen Van B.,Tsyshevsky R.V.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference36 articles.

1. Enthalpies of formation of mono substituted nitrobenzenes: a quantum chemistry study;Khrapkovskii;Comput. Theoret. Chem.,2013

2. Kinetics and mechanisms of thermal decomposition of nitroaromatic explosives;Brill;Chem. Rev.,1993

3. Thermochemical modeling: I application to decomposition of energetic materials;Melius,1990

4. Theoretical study of the decomposition reactions in substituted nitrobenzenes;Fayet;J. Phys. Chem. A,2008

5. Mechanisms of gas phase decomposition of C-nitro compounds from quantum chemical data;Khrapkovskii;Russ. Chem. Rev.,2009

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