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- 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;
- averaged bond dissociation energies 平均键离解能
- 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
- 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
- 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
- HANDBOOK OF BOND DISSOCIATION ENERGIES INORGANIC COMPOUNDS 有机化合物中裂键手册
- Keywords Transition metal silylene ion;Geometry;Bond dissociation energy;Ab initio; 过渡金属硅烯离子;构型;键解离能;从头算;
- Keywords Transition-metal complexes;Bond dissociation energy;Silylene;Ab initio; 过渡系金属配合物;键解离能;硅烯;从头算;
- Keywords Bond dissociation energy;enthalpy of formation;density functional theory;trinitromethane; 键离解能;生成焓;密度泛函理论;三硝基甲烷;
- Keywords Density functional theory;bond dissociation energy（BDE）;nitro alkyl;impact sensitivities; 密度泛函理论;键离解能;硝基烷基;撞击感度;
- Keywords Bond dissociation energy;Synchrotron radiation;Photoionization;Transition metal carbide ions; 键离解能;同步辐射;光电离;过渡金属碳化物;
- Keywords: Transition-metal complexes, Bond dissociation energy, Silylene, Ab initio, 关键词:过渡系金属配合物,键解离能,硅烯,从头算
- Keywords photoacoustic calorimetry model compounds of coenzyme B_（12） bond dissociation energy; 光声量热法;辅酶B_（12）模型化合物;键离解能;
- Keywords inductive effect index;alkylsiane derivations;standard heats of formation;bond dissociation energy; 诱导效应指数;硅烷基衍生物;标准生成热;键裂能;
- Keywords density function theory;n-propyl nitrate（NPN）;isopropyl nitrate（IPN）;frontier orbital energy;bond dissociation energy; 密度泛函理论;硝酸正丙酯;硝酸异丙酯;前线轨道能;键裂解能;
- Keywords density function theory;triethylene glycol dinitrate;tetraethylene glycol dinitrate;frontier orbital energy;bond dissociation energy; 密度泛函理论;二缩三乙二醇二硝酸酯;三缩四乙二醇二硝酸酯;前线轨道能;键裂解能;
- Keywords inductive effect index;alkyl derivation;thermodynamical parameter;standard formative heat;bond dissociation energy;free radical; 诱导效应指数;烷基衍生物;热力学参数;标准生成热;键裂能;自由基;
