Peeters, Daniel
[UCL]
Leroy, G.
[UCL]
The use of localized molecular orbitals for open shell systems is examined. Preliminary computations on carbon, nitrogen oxygen and fluorine atoms, and on the molecules of CH, NO and O2 are performed. The results obtained are described in terms of hybrids for atoms and lone pairs and bonds for molecules.
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| Bibliographic reference |
Peeters, Daniel ; Leroy, G.. Sur la localisation des orbitales moléculaires en couches ouvertes. In: Bulletin des Sociétés Chimiques Belges, Vol. 86, p. 833 (1977) |
| Permanent URL |
http://hdl.handle.net/2078.1/93478 |
