碳正离子的结构与稳定性的量子化学研究

A Quantum Chemistry Study on the Structure and Stability of Carbonium Ions

用半经验的量子化学软件包MOPAC6 .0中的AM1方法 ,对一系列碳正离子进行了计算 。

A calculation for a series of carbonium ions with semiemprical quantum chemistry method AM1 in software package MOPAC6.0 has been carried out in this paper and the structure and stability of this ions have been analysed with the calculation results.