密度泛函理论和从头算方法对四唑负离子的比较研究
陈兆旭, 肖鹤鸣
Comparative Investigation of the Structure and IR of Tetrazolate Ion with Density Functional Theory and MP2 Ab initio Methods
CHEN Zhao-Xu, XIAO He-Ming
高等学校化学学报 . 1999, (5): 782 -787 .