Publication detail

Reactivity of N-NO2 Bonds in Nitramines: Bond Dissociation and Bond Disproportionation Approach. I

FRIEDL, Z. ZEMAN, S.

Original Title

Reactivity of N-NO2 Bonds in Nitramines: Bond Dissociation and Bond Disproportionation Approach. I

Type

book chapter

Language

English

Original Abstract

Comparison of B3LYP/6-311+G(d,p) bond dissociation energies and bond disproportionation energies in 17 nitramines was performed. The energy data were correlated with explosive properties of nitramines.

Keywords

DFT B3LYP/6-311+G(d,p), bond energy, disproportionation energy, nitramines

Authors

FRIEDL, Z.; ZEMAN, S.

RIV year

2007

Released

23. 10. 2007

Publisher

Science Press

Location

Beijing, China

ISBN

978-7-03-020254-3

Book

Theory and Practice of Energetic Materials. Vol. VII.

Edition

Science Press USA

Edition number

1

Pages from

410

Pages to

417

Pages count

8

BibTex

@inbook{BUT55435,
  author="Zdeněk {Friedl} and Svatopluk {Zeman}",
  title="Reactivity of N-NO2 Bonds in Nitramines: Bond Dissociation and Bond Disproportionation Approach. I",
  booktitle="Theory and Practice of Energetic Materials. Vol. VII.",
  year="2007",
  publisher="Science Press",
  address="Beijing, China",
  series="Science Press USA",
  edition="1",
  pages="410--417",
  isbn="978-7-03-020254-3"
}