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Molecules in molecules calculations on decacyclene

✍ Scribed by C. J. M. Brugman; N. P. Asselt; R. P. H. Rettschnick; G. J. Hoytink


Book ID
104792581
Publisher
Springer
Year
1971
Tongue
English
Weight
144 KB
Volume
23
Category
Article
ISSN
1432-2234

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Molecules-in-molecules calculations with
✍ A. I. Kiss; A. Martin πŸ“‚ Article πŸ“… 1974 πŸ› John Wiley and Sons 🌐 English βš– 350 KB

## Abstract A simple equation for the evaluation of resonance integrals from overlap integrals and ionization potentials of the molecular fragments is suggested for molecules‐in‐molecules Ο€ electron calculations. The singlet Ο€ β†’ Ο€\* transition energies of some benzene derivatives containing donor s