Türker Lemi
Department of Chemistry, Middle East Technical University, 06531 Ankara Turkey.
J Hazard Mater. 2009 Sep 30;169(1-3):454-9. doi: 10.1016/j.jhazmat.2009.03.117. Epub 2009 Apr 2.
Spark sensitivity of explosives is an important subject. Presently, some correlations are sought between the spark sensitivity and certain molecular orbital characteristics of some nitramine type explosives. For that purpose certain semi-empirical and DFT calculations have been carried out. Investigations have revealed that the nitramines considered undergo decomposition in the electric field mainly via their anionic states.
炸药的火花感度是一个重要课题。目前,人们正在寻找某些硝胺类炸药的火花感度与某些分子轨道特征之间的关联。为此进行了一些半经验和密度泛函理论(DFT)计算。研究表明,所考虑的硝胺在电场中主要通过其阴离子态发生分解。