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A quantum chemical approach for the mechanisms of redox-active metalloenzymes
During the past 20 years, quantum chemistry has grown to be a significant part in the investigation of mechanisms for redox-active enzymes. In our group we have developed an approach that has been applied to a large number of such systems. Hybrid density functional theory (hybrid DFT) has from the s...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8694229/ https://www.ncbi.nlm.nih.gov/pubmed/35424322 http://dx.doi.org/10.1039/d0ra10412d |