Publication result detail
Electronic charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of Some Nitramines
Zeman, S., Friedl, Z.
Original Title
Electronic charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of Some Nitramines
English Title
Electronic charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of Some Nitramines
Type
Chapter in a book
Original Abstract
Electronic charges q at nitrogen atoms of 15 nitramines were calculated by means of ab initio DFT B3LYP/6-31G** method. The relationships have been confirmed between initiation characteristics of the nitramine and q values for primarily split off nitro groups. These relationships directly specify the most reactive nitro groups of corresponding molecules in their initiation and detonation.
English abstract
Electronic charges q at nitrogen atoms of 15 nitramines were calculated by means of ab initio DFT B3LYP/6-31G** method. The relationships have been confirmed between initiation characteristics of the nitramine and q values for primarily split off nitro groups. These relationships directly specify the most reactive nitro groups of corresponding molecules in their initiation and detonation.
Key words in English
electronic charges, nitro groups, sensitivities, nitramines
Authors
Zeman, S., Friedl, Z.
Released
10.10.2003
Publisher
Science Press
Location
Beijing/New York
ISBN
7-03-12202-X
Book
Theory and Practice of Energetic Materials
Edition
Part B
Pages from
710
Pages count
9
Full text in the Digital Library
BibTex
@inbook{BUT55478,
author="Svatopluk {Zeman} and Zdeněk {Friedl}",
title="Electronic charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of Some Nitramines",
booktitle="Theory and Practice of Energetic Materials",
year="2003",
publisher="Science Press",
address="Beijing/New York",
series="Part B",
pages="9",
isbn="7-03-12202-X"
}