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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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_01661280_v210_nC_p93_Reale |
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todo:paper_01661280_v210_nC_p93_Reale2023-10-03T15:03:17Z Statistical population analysis of spin distributions for molecular systems Reale, H.F. Bochicchio, R.C. 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. Fil:Reale, H.F. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Bochicchio, R.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_01661280_v210_nC_p93_Reale |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
| collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| description |
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. |
| format |
JOUR |
| author |
Reale, H.F. Bochicchio, R.C. |
| spellingShingle |
Reale, H.F. Bochicchio, R.C. Statistical population analysis of spin distributions for molecular systems |
| author_facet |
Reale, H.F. Bochicchio, R.C. |
| author_sort |
Reale, H.F. |
| title |
Statistical population analysis of spin distributions for molecular systems |
| title_short |
Statistical population analysis of spin distributions for molecular systems |
| title_full |
Statistical population analysis of spin distributions for molecular systems |
| title_fullStr |
Statistical population analysis of spin distributions for molecular systems |
| title_full_unstemmed |
Statistical population analysis of spin distributions for molecular systems |
| title_sort |
statistical population analysis of spin distributions for molecular systems |
| url |
http://hdl.handle.net/20.500.12110/paper_01661280_v210_nC_p93_Reale |
| work_keys_str_mv |
AT realehf statisticalpopulationanalysisofspindistributionsformolecularsystems AT bochicchiorc statisticalpopulationanalysisofspindistributionsformolecularsystems |
| _version_ |
1807317558218457088 |