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A ZINDO/1-CI Study of Substituted Triphenylamines for Use as Charge Transfer Materials

A ZINDO/1-CI Study of Substituted Triphenylamines for Use as Charge Transfer Materials
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摘要 Electronic spectra of substituted triphenylamines are investigated in this paper by time dependent perturbation theory and ZINDO/1-CI calculation.
出处 《Chinese Chemical Letters》 SCIE CAS CSCD 2005年第5期693-696,共4页 中国化学快报(英文版)
基金 The authors gratefully acknowledge financial support from the National High Technology Research and Development Program.863 Proect.(No.2001A31307).
关键词 ELECTROLUMINESCENCE triphenylamine ZINDO organic LED. Electroluminescence, triphenylamine, ZINDO, organic LED.
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参考文献5

  • 1C.W. Tang, S. A. Vanslyke, Appl. Phys. Lett., 1987, 51,913.
  • 2G. X. Xu, L. M. Li, "Quantum Chemistry, Principles and Ab Initio Methods", Science Press,Beijing, 1980, Vol 1, p.295.
  • 3M.C. Zerner, in "Review of Computational Chemistry", K. B. Lipkowitz and D. B. Boyd, Eds.,Wiley-VCH, New York, 1991, Vol. 2, p.313.
  • 4O. Tapia, O. Goscinski, Molecular Physics, 1975, 29, 1653.
  • 5W. Wang, Dissertation for Master degree, Dept. of Chemistry and Chemical Engineering,Jiaotong University, Shanghai, 2001, p.59.

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