Publication result detail
Electronic charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of Some Nitramines
ZEMAN, S.
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
Paper in proceedings (conference paper)
Original Abstract
Electronic charges q at nitrogen atoms of 15 nitramines were calculated by means of DFT B3LYP/6-31G** method. The relationships have been confirmed and these directly specify the most reactive nitro groups.
English abstract
Electronic charges q at nitrogen atoms of 15 nitramines were calculated by means of DFT B3LYP/6-31G** method. The relationships have been confirmed and these directly specify the most reactive nitro groups.
Key words in English
electronic charges, nitro groups, sensitivities, nitramines
Authors
ZEMAN, S.
Released
01.10.2003
Publisher
Beijing Institute of Technology
Location
Beijing
Book
Proc. 2003 IASPEP
Pages from
710
Pages count
9
BibTex
@inproceedings{BUT11080,
author="Svatopluk {Zeman}",
title="Electronic charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of Some Nitramines",
booktitle="Proc. 2003 IASPEP",
year="2003",
pages="9",
publisher="Beijing Institute of Technology",
address="Beijing"
}