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DFT Analysis of CoõAlkyl and CoõAdenosyl Vibrational Modes in B12-Cofactors
Density functional theory (DFT)-based normal mode calculations have been carried out on models for B(12)-cofactors to assign reported isotope-edited resonance Raman spectra, which isolate vibrations of the organo–Co group. Interpretation is straightforward for alkyl–Co derivatives, which display pro...
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| Главные авторы: | , , , , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
2006
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2773831/ https://ncbi.nlm.nih.gov/pubmed/16813422 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ic052069j |
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