Effect of molybdenum and tungsten on the reduction of nitrate in nitrate reductase, a DFT study
Effect of molybdenum and tungsten on the reduction of nitrate in nitrate reductase, a DFT study
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Cham: Springer International Publishing
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English
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Cham: Springer International Publishing
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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 theory. The molybdenum containing active s...
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Full title
Effect of molybdenum and tungsten on the reduction of nitrate in nitrate reductase, a DFT study
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TN_cdi_doaj_primary_oai_doaj_org_article_061a1062eaaa4ab093d5188b53e5dc06
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_061a1062eaaa4ab093d5188b53e5dc06
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ISSN
1752-153X
E-ISSN
1752-153X,2661-801X
DOI
10.1186/s13065-017-0263-7
