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A DFT/TDDFT Study of Lanthanide(III) Mono- and Bis-Porphyrin Complexes
Electronic structure, molecular structure, and electronic spectra of lanthanide(III) mono- and bis-porphyrin complexes are investigated using a DFT/TDDFT method. These complexes include YbP(acac), YbP(2), [YbP(2)](+), YbHP(2), and [YbP(2)](−) (where P = porphine and acac = acetylacetonate). To shed...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2006
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2596995/ https://ncbi.nlm.nih.gov/pubmed/17134170 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp0632236 |
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