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Citation: . [J]. University Chemistry, ;1997, 12(1): 54-55. doi: 10.3866/PKU.DXHX19970118 shu

Corresponding author: ,

1. [1]
  1 赵洪刚等中国科学(B辑),1993;23(8):804
2. [2]
  2 朱宏耀等科学通报,1992;37(7):605
3. [3]
  3 唐敖庆等分子轨道图形理论科学出版社,1980
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