It is shown that the ab znitio STO-3G treatment applied to simple saturated linear, branched and cyclic hydrocarbons, assuming standard geometries, yields orbital energies e p -3 G for their canonical orbitals yl which correlate perfectly with the observed C2, ionization energies If", if Koopmuns' a
โฆ LIBER โฆ
Transferability of the bond polarizabilities: From saturated hydrocarbons to diamond
โ Scribed by D. Bermejo; S. Montero; M. Cardona; A. Muramatsu
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 204 KB
- Volume
- 42
- Category
- Article
- ISSN
- 0038-1098
No coin nor oath required. For personal study only.
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