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The angle of total pi-electron energy and localization energies of alternant hydrocarbons
Date
1996-01-01
Author
Türker, Burhan Lemi
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It has been proved that the localization energies of alternant hydrocarbons correlate linearly with cosines of the angle of total pi-electron energies of the corresponding sigma-complexes in chemical reactions. Topologically variable upper and lower bounds for the topological form of the localization energy are obtained. It has been shown that among the various sigma-complexes of the same compound, the one having the highest a(4) coefficient is more likely to form.
URI
https://hdl.handle.net/11511/62393
Journal
ACH-MODELS IN CHEMISTRY
Collections
Department of Chemistry, Article
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B. L. Türker, “The angle of total pi-electron energy and localization energies of alternant hydrocarbons,”
ACH-MODELS IN CHEMISTRY
, pp. 137–141, 1996, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62393.