Structural and electronic properties of perchlorocoronene

Date

2001-01-15

Author

Erkoç, Şakir
Erkoc, F
Turker, L

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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.

Subject Keywords

Coronene, AM1 method

URI

https://hdl.handle.net/11511/57211

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(00)00590-x

Collections

Department of Physics, Article

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Citation Formats

Ş. Erkoç, F. Erkoc, and L. Turker, “Structural and electronic properties of perchlorocoronene,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 159–164, 2001, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/57211.