An ab initio treatment on some isomeric structures of a small pseudocyclacene

Date

2003-10-03

Author

Türker, Burhan Lemi

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At the level of 6-31G (RHF) type ab initio calculations, some structures isomeric with the pseudocyclacene are considered. Some structures have the same or almost the same energy values. This situation causes the pseudocyclacene structure to be vague at the level of calculations.

Subject Keywords

Physical and Theoretical Chemistry, Biochemistry, Condensed Matter Physics

URI

https://hdl.handle.net/11511/62397

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(03)00473-1

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker, “An ab initio treatment on some isomeric structures of a small pseudocyclacene,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 109–113, 2003, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62397.