Modeling the MoFe Nitrogenase System with Broken Symmetry Density Functional Theory

Methods in Molecular Biology

Volumn 766, Issue , 2011, Pages 293-312

  Sandala, Gregory M ^a   Noodleman, Louis ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

broken symmetry; Density functional theory (DFT); ENDOR hyperfine parameters; FeMo cofactor; iron sulfur clusters; M ssbauer parameters; redox potentials; spin coupling; spin polarization; spin projection techniques

Indexed keywords

IRON SULFUR PROTEIN; MOLYBDENUM IRON PROTEIN; NITROGENASE;

ARTICLE; BIOLOGICAL MODEL; CHEMISTRY; METABOLISM; THEORETICAL MODEL;

IRON-SULFUR PROTEINS; MODELS, BIOLOGICAL; MODELS, THEORETICAL; MOLYBDOFERREDOXIN; NITROGENASE;

EID: 80052927537     PISSN: 10643745     EISSN: 19406029     Source Type: Book Series    
DOI: 10.1007/978-1-61779-194-9_19     Document Type: Chapter

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