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- W2034189712 abstract "DFT calculations reveal the existence of metastable side-on {CuNO}10 and {CuNO}11 species relevant to the type 2 copper site of nitrite reductase (CuNIR). Side-on NO coordination seems especially favorable in energy terms for the {CuNO}11 species. The {CuNO}11 geometry parameters also seem to be in better agreement with those reported for a crystallographically characterized CuNIR intermediate, relative to the {CuNO}10 parameters." @default.
- W2034189712 created "2016-06-24" @default.
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- W2034189712 date "2005-10-12" @default.
- W2034189712 modified "2023-10-14" @default.
- W2034189712 title "Modeling Side-On NO Coordination to Type 2 Copper in Nitrite Reductase: Structures, Energetics, and Bonding" @default.
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- W2034189712 doi "https://doi.org/10.1021/ja0559909" @default.
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