AM1 and PM3 treatment of Huckel type cyclacenes

Date

2000-06-01

Author

Türker, Burhan Lemi
Celebi, N

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Semi-empirical molecular orbital treatment at the level of AM1 and PM3 has been performed on the Huckel type cyclacenes. The effect of peripheral circuits on the stabilities and the interfrontier energy gaps of cyclacenes has been investigated.

Subject Keywords

Cryptoannulenic behavior, Force-field, Corannulenes, Aromaticity, Carbon

URI

https://hdl.handle.net/11511/62414

Journal

INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY

Collections

Department of Chemistry, Article

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AM1 treatment of cyclophanes with vinylic bridges Türker, Burhan Lemi (Informa UK Limited, 1999-01-01) Semi-empirical molecular orbital treatment at the level of AM1 type has been performed on the cyclophanes having vinylic bridges. The Hamiltonicity of the cyclophanes is introduced. It has been found that within the isomeric set of these endothermic compounds, the least and the most endothermic ones are Hamiltonian and nonHamiltonian, respectively.
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Citation Formats

B. L. Türker and N. Celebi, “AM1 and PM3 treatment of Huckel type cyclacenes,” INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY, pp. 410–413, 2000, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62414.