Structural and electronic properties of halogenated coronene

Date

2001-03-30

Author

Erkoç, Şakir
Erkoc, F
Turker, L

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The structural and electronic properties of halogenated coronenes, (C24X12; X = F, Br, I), have been investigated theoretically by performing semiempirical molecular orbital theory at the level of AM1-RHF calculations. The optimized geometries and the electronic structures of the molecules considered have been obtained.

Subject Keywords

Halogenated Coronene, AM1-RHF Method

URI

https://hdl.handle.net/11511/56345

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(00)00651-5

Collections

Department of Physics, Article

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Citation Formats

Ş. Erkoç, F. Erkoc, and L. Turker, “Structural and electronic properties of halogenated coronene,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 91–97, 2001, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56345.