The spectroscopic-potentials-adjusted INDO (SPINDO) has been used to calculate the electronic structure of toluene. Reasonable agreement between the orbital energies and the photoelectron spectrum has been obtained, which indicates the usefulness of the new procedure. The molecular orbitals of tolue
Cyclopentadiene and fulvene, studied by photoelectron spectroscopy and a spindo calculation
✍ Scribed by C. Fridh; L. Åsbrink; E. Lindholm
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 329 KB
- Volume
- 15
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The e!ectronic structures of cyclopentadicne and fillvene have been calculated by use of the spectroscopicpotentials-adjusted INDO (SPINDO). The orbitcrl energies qrer; well with rhe ionization energies from the photo-eIectron spectra, which indicates the usefulness of rhe new proccdare. The molecular orbitals are discussed.
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