Nitrogenase Structure and Function Relationships by Density Functional Theory

Methods in Molecular Biology

Volumn 766, Issue , 2011, Pages 267-291

  Harris, Travis V ^a   Szilagyi, Robert K ^a  

^a MONTANA STATE UNIVERSITY   (United States)

Author keywords

antiferromagnetic coupling; basis set saturation; broken symmetry calculation; correlation functional; Density functional theory; electronic structure; exchange functional; exchange interaction; ferromagnetic coupling; spectroscopic calibration

Indexed keywords

NITROGENASE;

ARTICLE; CHEMISTRY; STRUCTURE ACTIVITY RELATION; THEORETICAL MODEL;

MODELS, THEORETICAL; NITROGENASE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 80052957809     PISSN: 10643745     EISSN: 19406029     Source Type: Book Series    
DOI: 10.1007/978-1-61779-194-9_18     Document Type: Chapter

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