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Browsing by Subject "Nitrogenase"

Browsing by Subject "Nitrogenase"

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    Electronic structure calculations of spin-coupled iron-sulfur clusters 
    Benediktsson, Barði (University of Iceland, School of Engineering and Natural Sciences, Faculty of Physical Sciences, 2022-06-22)
    Iron-sulfur clusters are integral to the biochemistry of living organisms and a lot of effort has been devoted to research their structure and function. However, describing these polynuclear iron-sulfur clusters with computa tional chemistry poses a ...
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    A model for dinitrogen binding in the E4 state of nitrogenase 
    Thorhallsson, Albert Th.; Benediktsson, Bardi; Bjornsson, Ragnar (Royal Society of Chemistry (RSC), 2019-10-15)
    Molybdenum nitrogenase is one of the most intriguing metalloenzymes in nature, featuring an exotic iron-molybdenum-sulfur cofactor, FeMoco, whose mode of action remains elusive. In particular, the molecular and electronic structure of the N2-binding ...