A novel approach to chemical resemblance of alternant hydrocarbons

Date

2002-02-14

Author

Türker, Burhan Lemi

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Within the constraints of the Huckel molecular orbital theory, a topological approach has been developed for the resemblance of alternant hydrocarbons. Four topological variables are considered which categorize alternant hydrocarbons having some resemblance of certain degree between them. Depending on variations of these topological variables, various groups of the compounds, including the identity case, various isomers and nonresembling systems have been investigated.

Subject Keywords

Angle of total mu-electron energy, Total pi-electron energy, Isospectral molecules, Isomerism, Resemblance, Alternant hydrocarbons

URI

https://hdl.handle.net/11511/62377

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(01)00713-8

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker, “A novel approach to chemical resemblance of alternant hydrocarbons,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 191–197, 2002, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62377.