Statistical population analysis of spin distributions for molecular systems
Theoretical expressions for spin populations are presented. The expressions were derived from the statistical concept of the number of particles for an extended system (molecule or crystal). Numerical results are shown over a set of selected molecular systems and some theoretical conclusions are dis...
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| Autores principales: | , |
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| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_01661280_v210_nC_p93_Reale |
| Aporte de: |
| Sumario: | Theoretical expressions for spin populations are presented. The expressions were derived from the statistical concept of the number of particles for an extended system (molecule or crystal). Numerical results are shown over a set of selected molecular systems and some theoretical conclusions are discussed. © 1990. |
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