Browsing by Subject "Density functional theory calculations"

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    • Article  

      Nitrite coordination in myoglobin 

      Ioannou, Androulla; Lambrou, Alexandra; Daskalakis, Vangelis; Pinakoulaki, Eftychia (2017)
      The coordination of nitrite in myoglobin (Mb) has been characterized by resonance Raman spectroscopy and the frequencies of the nitrite bound to the heme Fe as well to the 2-vinyl have been computed by density functional ...