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Fletta eftir efnisorði "Ástand efnis"

Fletta eftir efnisorði "Ástand efnis"

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    QM/MM calculations reveal a bridging hydroxo group in a vanadium nitrogenase crystal structure 
    Benediktsson, Bardi; Þórhallsson, Albert Þ.; Bjornsson, Ragnar (Royal Society of Chemistry (RSC), 2018)
    A new 1.2 Å crystal structure of vanadium nitrogenase, isolated under turnover conditions, recently revealed a light atom ligand (OH or NH) replacing the bridging S2B sulfide of the FeV cofactor. QM/MM calculations on the new structure now reveal the ...
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    Structure of surface electronic states in strained mercury telluride 
    Kibis, Oleg; Kyriienko, O.; Shelykh, Ivan (IOP Publishing, 2019-04-12)
    We present the theory describing the various surface electronic states arisen from the mixing of conduction and valence bands in a strained mercury telluride (HgTe) bulk material. We demonstrate that the strain-induced band gap in the Brillouin zone ...