Publication detail

Theoretical and 15N-NMR study of some high energetic nitramines

Friedl, Z., Zeman, S.

Original Title

Theoretical and 15N-NMR study of some high energetic nitramines

Type

conference paper

Language

English

Original Abstract

Electronic charges q at nitrogen atoms of twenty nitramines were calculated at the ab initio B3LYP/6-31G**//HF/6-31G** level. The relationships between 15N-NMR chemical shifts of nitrogen atom in the nitro group and squares of detonation velocities or heats of explosion were confirmed.

Keywords

electronic charges, 15N-NMR, detonation velocity, heat of explosion

Authors

Friedl, Z., Zeman, S.

RIV year

2004

Released

23. 4. 2001

Publisher

Masaryk University

Location

Brno

ISBN

80-210-2566-2

Book

Proc. Seminar 16th NMR Valtice

Edition number

1.

Pages from

10

Pages to

10

Pages count

1

BibTex

@inproceedings{BUT6422,
  author="Zdeněk {Friedl} and Svatopluk {Zeman}",
  title="Theoretical and 15N-NMR study of some high energetic nitramines",
  booktitle="Proc. Seminar 16th NMR Valtice",
  year="2001",
  number="1.",
  pages="1",
  publisher="Masaryk University",
  address="Brno",
  isbn="80-210-2566-2"
}