Nonlinear pair population analysis: The study of basis-set dependence
The nonlinear pair population analysis recently introduced as a new means of visualization of bonding in molecules with complex bonding patterns was tested for the assumed sensitivity of calculated populations to the quality of the basis set The testing was performed on a series of several simple mo...
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| Autores principales: | Ponec, R., Bochicchio, R.C. |
|---|---|
| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00207608_v72_n2_p127_Ponec |
| Aporte de: |
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