Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set
Mulliken population analysis with 2p polarization functions included in the AO basis set of the INDO method has been performed for a set of molecules containing hydrogen as well as first row atoms. It is found that this enlargement of the basis set yields an increasing electron population in hydroge...
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| Autores principales: | Facelli, J.C., Contreras, R.H. |
|---|---|
| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_09320784_v35_n12_p1350_Facelli |
| Aporte de: |
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