Towards an understanding of the workings of nitrogenase from DFT calculations

ChemPhysChem

Volumn 6, Issue 9, 2005, Pages 1724-1726

  Kästner, Johannes ^a,b   Blöchl, Peter E ^a  

^a CLAUSTHAL UNIVERSITY OF TECHNOLOGY   (Germany)

^b MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

Author keywords

Bioinorganic chemistry; Density functional calculations; Metalloenzymes; Nitrogen fixation; Nitrogenases

Indexed keywords

AMMONIA; BINDING SITES; CALCULATIONS; DENSITY FUNCTIONAL THEORY; ENZYMES;

BIOINORGANIC CHEMISTRY; BIOLOGICAL NITROGEN FIXATIONS; DFT CALCULATION; FIRST-PRINCIPLES CALCULATION; METALLOENZYMES; NITROGENASES; REACTION MECHANISM; STRUCTURAL REARRANGEMENT;

NITROGEN FIXATION;

EID: 24944572585     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200400474     Document Type: Article

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