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Structural and electronic properties of AlP doped Huckel type cyclacene with four benzenoid rings
Date
2003-11-01
Author
Erkoc, S
Malcıoğlu, Osman Barış
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Cyclacene of the Huckel type having four benzenoid rings have been subjected to centric perturbations along both peripheral circuits such that Al and P atoms are alternatingly located. The present structure of perturbed cyclacene let two types of isomeric compounds to arise such that in one case the peri-positions and fusion-points occupied by Al and P atoms, respectively and in the other case reversal of occupation of locations occur. For these structures, AM1-RHF type semi-empirical calculations have been carried out and the systems are analyzed from various energetic points of view.
Subject Keywords
Mathematical Physics
,
Computational Theory and Mathematics
,
General Physics and Astronomy
,
Statistical and Nonlinear Physics
,
Computer Science Applications
URI
https://hdl.handle.net/11511/48063
Journal
INTERNATIONAL JOURNAL OF MODERN PHYSICS C
DOI
https://doi.org/10.1142/s0129183103005339
Collections
Department of Physics, Article
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S. Erkoc and O. B. Malcıoğlu, “Structural and electronic properties of AlP doped Huckel type cyclacene with four benzenoid rings,”
INTERNATIONAL JOURNAL OF MODERN PHYSICS C
, pp. 1183–1189, 2003, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/48063.