Structural and electronic properties of perchlorocoronene

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Erkoc S., Erkoc F., Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.535, pp.159-164, 2001 (SCI-Expanded, Scopus)

• Publication Type: Article / Article
• Volume: 535
• Publication Date: 2001
• Doi Number: 10.1016/s0166-1280(00)00590-x
• Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
• Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Page Numbers: pp.159-164
• Middle East Technical University Affiliated: No

Abstract

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.