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Bond length alternation in cyclic polyenes. III. Alternant molecular orbital method

✍ Scribed by R. Pauncz; J. Paldus


Book ID
104581068
Publisher
John Wiley and Sons
Year
1983
Tongue
English
Weight
568 KB
Volume
24
Category
Article
ISSN
0020-7608

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Bond length alternation in cyclic polyen
✍ J. Paldus; E. Chin; M. G. Grey πŸ“‚ Article πŸ“… 1983 πŸ› John Wiley and Sons 🌐 English βš– 732 KB

## Abstract The problem of bond length alternation in cyclic polyene models as described by the Pariser–Parr–Pople π‐electron Hamiltonian, together with an empirical quasi harmonic σ‐core potential is investigated using the unrestricted Hartree–Fock wave function employing different spatial orbital