On the Coulson integral formula for total π-electron energy
✍ Scribed by A. Graovac; I. Gutman; N. Trinajstić
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 241 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
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
The modificatrons of the electronic enerees predicted by the free-electron model for ?r-electrons m long molecules due to curvature of the bond paths are found. Numerxxd results are grven for the ennulenes which show that the corrections due to curvature reprove the theoretxal values.