The UHF extension of the quantum theory of valence and bonding
General definitions of the empirical notions of classical chemistry, such as valence and degree of bonding, have been given before. These definitions use the density matrix of the system and can be applied to any type of SCF-LCAO-MO wavefunction, whether ab initio or semiempirical. However, we find...
Guardado en:
| Autores principales: | Medrano, J.A., Bochicchio, R.C. |
|---|---|
| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_01661280_v200_nC_p463_Medrano |
| Aporte de: |
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