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- W990450672 abstract "在水中合成了3-硝基-1,2,4-三唑-5-酮(NTO)的锂盐Li(NTO)(H2O)2,利用DSC, TG/DTG和IR方法研究了其金属配合物的热分解机理,并用Kissinger法、Ozawa法、积分法和微分法对标题配合物进行了非等温动力学研究,得到了热分解反应的动力学参数,确定了热分解第一阶段的动力学方程及配合物的热爆炸临界温度(Tb)为289.33 ℃.采取RHF/6-31G, DFT-RB3LYP/6-31G方法对标题化合物进行了几何全优化,并对其成键情况、电荷分布和化合物的稳定性进行了分析." @default.
- W990450672 created "2016-06-24" @default.
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- W990450672 date "2004-06-28" @default.
- W990450672 modified "2023-09-28" @default.
- W990450672 title "Li(NTO)(H2O)2的热分解行为及其结构与性质的关系研究" @default.
- W990450672 hasPublicationYear "2004" @default.
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