A molecular orbital rationalization of ligand effects in N2 activation

Chemistry - A European Journal

Volumn 14, Issue 20, 2008, Pages 6119-6124

  Ariafard, Alireza ^a   Brookes, Nigel J ^a   Stranger, Robert ^b   Yates, Brian F ^a  

^a UNIVERSITY OF TASMANIA   (Australia)

^b AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

Density functional calculations; Ligand rotation; Molecular orbital theory; Nitrogen activation; Reaction mechanisms

Indexed keywords

MOLECULAR MODELING;

DENSITY FUNCTIONAL CALCULATIONS; LIGAND ROTATION; MOLECULAR ORBITAL THEORY; NITROGEN ACTIVATION; REACTION MECHANISMS;

MOLECULAR ORBITALS;

EID: 51749088360     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200800235     Document Type: Article

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