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Comments on the nature of the bonding in oxygenated dinuclear copper enzyme models
The nature of the bonding in model complexes of di-copper metalloenzymes has been analyzed by means of the electronic localization function (ELF) and by the quantum theory of atoms in molecules (QTAIM). The constrained space orbital variations (CSOV) approach has also been used. Density functional t...
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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/PMC1993802/ https://ncbi.nlm.nih.gov/pubmed/17893747 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.theochem.2006.02.013 |
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