Structural and electronic properties of perchlorocoronene


Erkoc S. , Erkoc F., Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.535, ss.159-164, 2001 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 535
  • Basım Tarihi: 2001
  • Doi Numarası: 10.1016/s0166-1280(00)00590-x
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayıları: ss.159-164

Özet

The structural and electronic properties of perchlorocoronene (C24Cl12) have been investigated theoretically by using semiempirical molecular orbital theory at the level of AM1 calculations. The optimized structure and the electronic structure of the molecule are obtained. (C) 2001 Elsevier Science B.V. All rights reserved.