Al powders are often mixed with iso-propyl nitrate(IPN)to improve the performance of the propellants.In this paper,the adsorption and dissociation of IPN mo
The different protonation state of amino group can bring quite different catalytic mechanism in enzymatic process.Herein,based on state-of-the-art ab initio
Tetraazido pentaerythritol(TAPE)is a candidate of energetic azido plasticizers with low glass transition temperature and high nitrogen content.A detailed th
The CCSD(T)//MP2/6-311G(d,p)level of theory was employed to investigate the formation mechanism of the homogeneous gaseous reaction of 2NO2(g)+nH2O(g)+nNH3(