Eyring过渡态理论相关论文
用量子化学中的密度泛函DFT方法,在B3LYP/6-31G(d,p)水平上研究了1-甲氧基-1-锂乙烯的结构.结果表明,1-甲氧基-1-锂乙烯有4种平衡......
在量化计算的基础上,运用统计热力学和Wigner校正的Eyring过渡态理论研究了(98.15～2098.15)K温度范围内活性F原子和臭氧O3反应的热......
Theoretical Research on the Multi-channel Reaction Mechanism of CHF Radical with HNCO by Density Fun
The reaction mechanism of CHF radical with HNCO was investigated by the B3 LYP method of density functional theory(DFT),......
