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Effect of molybdenum and tungsten on the reduction of nitrate in nitrate reductase, a DFT study
The molybdenum and tungsten active site model complexes, derived from the protein X-ray crystal structure of the first W-containing nitrate reductase isolated from Pyrobaculum aerophilum, were computed for nitrate reduction at the COSMO-B3LYP/SDDp//B3LYP/Lanl2DZ(p) energy level of density functional...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5405038/ https://www.ncbi.nlm.nih.gov/pubmed/29086812 http://dx.doi.org/10.1186/s13065-017-0263-7 |