Chem. J. Chinese Universities ›› 1995, Vol. 16 ›› Issue (2): 256.

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A Theoretical Prediction of Electronic Structures and Spectra of B32and Its Endohedral Complexes

LI Zhi-Ru, WEI Jia-You, ZHANG Xin-Tong, FENG Ji-Kang   

  1. Department of Chemistry Jilin University, Changchun, 130023
  • Received:1994-03-18 Revised:1994-11-02 Online:1995-02-24 Published:1995-02-24

Abstract: On the basis of INDO/CI method,the electronic structures and spectra of B32and its endohedral complexes were studied,and compared with its conjugated polyhedron of C60and its endohedral complexes.

Key words: Conjugated polyhedron, Endohedral complex, INDO/CI, Electronic structures, Prediction of spectra

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