Acta Chimica Sinica ›› 1986, Vol. 44 ›› Issue (12): 1257-1260. Previous Articles     Next Articles

Original Articles

硝基烷系列分子的从头计算研究

肖鹤鸣;冯蓓雷;李永富;邓娅   

  1. 华东工学院
  • 发布日期:1986-12-15

The ab initio calculations of nitroalkane molecules

XIAO HEMING;FENG BEILEI;LI YOAGFU;DENG YA   

  • Published:1986-12-15

Key words: NMR SPECTROMETRY, ALKANE P, CNDO APPROXIMATION, ELECTRONIC STRUCTURE, AB INITIO CALCULATION, ELECTRON ENERGY LEVEL, SELF-CONSISTENT FIELD, CONFIGURATION, DIPOLE MOMENTS, CHARGE DENSITY

CLC Number: