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1,4-didecapentaene-substituted cyclacenes - AM1 treatment
Date
2002-07-05
Author
Türker, Burhan Lemi
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Austin model I type semi-empirical calculations are performed to calculate various energies and to get some molecular orbital properties of the 1,4-didecapentaene-substituted cyclacenes having 3-8 benzenoid rings. The systems considered should be stable, endothermic and possibly have some non-linear properties.
Subject Keywords
Cyclacenes
,
Polyenes
,
Cryptoannulenic effect
,
Substituted cyclacenes
,
Conjugated systems
URI
https://hdl.handle.net/11511/62287
Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
DOI
https://doi.org/10.1016/s0166-1280(02)00110-0
Collections
Department of Chemistry, Article
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1,3-Dipolar Cycloaddition Reactions of 1-Methyl-3-Oxidopyridinium Betaine with C-70-A Theoretical Study
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B. L. Türker, “1,4-didecapentaene-substituted cyclacenes - AM1 treatment,”
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
, pp. 19–23, 2002, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62287.