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P. J. Stephens, F. J. Devlin, C. F. Chabalowski and M. J. Frisch, “Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields,” Journal of Physical Chemistry, Vol. 98, No. 45, 1994, pp. 11623-11627. doi:10.1021/j100096a001

has been cited by the following article:

• TITLE: Theoretical Study of Dibenzothiophene Based Electron Transport Materials

  AUTHORS: Asanga B. Padmaperuma

  KEYWORDS: OLED; Electron Transport Molecules; PO15; Dibenzothiophene; DFT; TD-DFT

  JOURNAL NAME: Advances in Materials Physics and Chemistry, Vol.2 No.4, December 31, 2012

  ABSTRACT: Density functional methods have been used for the calculation of electronic structures, electronic transitions, vertical electron affinities and intermolecular reorganization energies for tri-aryl substituted dibenzothiophenes. These model compounds were then compared to the predicted values for dibenzo[b,d]thiophen-2-yltriphenylsilane (DBTSI 2) and to dibenzo[b,d]thiophene-2,8-diylbis(diphenylphosphine oxide) (PO15), known electron transport molecules. The results indicate that these model compounds can be used in a blue OLED system.