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...

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Detalles Bibliográficos
Autores principales: Habib, Uzma, Hoffman, Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2017
Materias:
Research Article
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

Internet

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

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