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Bounds For Total π-Electron Energy

✍ Scribed by Ivan Gutman

Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
251 KB
Volume
24
Category
Article
ISSN
0009-2614

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📜 SIMILAR VOLUMES

A linear relationship between the total
A linear relationship between the total π-electron energy and the characteristic polynomial
✍ A. Graovac; I. Gutman; N. Trinajstić 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 391 KB

A lincar iclationship bctwccn the total z-electron energy (E,) nnd the cocfficicnts of the characteristic polynomial of the molecular gaph is znalyscd. It is deduced that (a) the main part of En depends on the number of bonds, (b) the Hiickel41~1+2 rule holds gcncmlly, but corrections regarding the

Revisiting a simple regularity for benze
Revisiting a simple regularity for benzenoid hydrocarbons. Total π-electron energy versus the number of Kekulé structures
✍ Ivan Gutman; Svetlana Marković; George G. Hall 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 251 KB

The linear dependence, previously claimed, of the total -rr-electron energy (E~) of isomeric benzenoid hydrocarbons on the number of Kekul6 structures (K) is found to be a satisfactory approximation only for benzenoids having eight or fewer six-membered rings (h ~< 8), and is violated if h >1 9. For