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On the empirical correlation schemes for ionization energies in ring compounds

✍ Scribed by Hans Jochen Kuhn; Martin Klessinger; Branko Ruščić; Leo Klasinc

Book ID
103737767
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
441 KB
Volume
43
Category
Article
ISSN
0368-2048

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On the corrections due to curvature for
On the corrections due to curvature for π - electron energies in large ring molecules
✍ E.A. Power; T. Thirunamachandran 📂 Article 📅 1969 🏛 Elsevier Science 🌐 English ⚖ 212 KB

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.