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- This demonstrates that our fitting method has a comparative accuracy with high level ab initio methods and also supports the conclusion that N-N bond dissociation is the dominant initial steps of gas-phase DMNA decomposition. 使用微正则变分过渡态计算了N-N键断裂反应速率常数,结果与文献实验值相一致,也表明校正拟合计算方法的正确性,同时也进一步证明了N-N键断裂为气相DMNA起始热分解的主要途径。
- averaged bond dissociation energies 平均键离解能
- homolytic bond dissociation enthalpy 键离解能
- Sulfur-Sulfur bond dissociation enthalpies 键离解能(BDEs)
- HANDBOOK OF BOND DISSOCIATION ENERGIES INORGANIC COMPOUNDS 有机化合物中裂键手册
- Keywords DTF;CCSD;bond dissociation energy;bond length; 密度泛函;耦合簇方法;键离解能;键长;
- Keywords HMX;Bond dissociation energy;Thermal decomposition;DFT; 键解离能;热裂解能;密度泛函理论;
- Keywords Group electronegativity;Bond dissociation energy;Calculation; 基团电负性;键裂能;计算;
- You need a strong adhesive to bond wood to metal. 需要强力胶才能把木料粘在金属上。
- This glue makes a good firm bond. 这种胶水粘得很结实。
- Common tastes form a bond between the two men. 共同的爱好使两人结交为朋友。
- Density Functional Studies on the Bond Dissociation Energy and Pyrolysis Mechanism of Propyl Nitrate 硝酸丙酯键离解能和热解机理的密度泛函理论研究
- Homolytic Bond Dissociation Energies of Allylic Compounds and Related Substituent Effects 烯丙位化学键均裂离解能及其取代基效应
- The Calculation of Bond Dissociation Energies for Azide Group in Some Azido Compounds 对一些叠氮化合物的叠氮自由基键离解能的计算
- Evaluation of Bond Dissociation Energy for Carbon-Hydrogen Bond in Alkane and Its Application 烷烃中碳氢键离解能的估算及其应用
- The improved relationship between the molecule connect index and bond dissociation energy 改进的分子连接性指数与链烷烃的键离解能的关系
- The bond that binds the smugglers together is a rope of sand. 把走私犯联接起来的是条沙做的绳子,一碰就碎。
- Theoretical calculation of bond dissociation energy and enthalpy of formation for trinitromethane 三硝基甲烷键离解能和生成焓的理论计算
- Common interests formed a bond between us. 共同的利益把我们联系在一起。
- Identity of interests is the bond that unites them. 利害的一致是把他们联合起来的纽带。