DFT study of electronic properties of 3d metal complexes of σ-geminal diethynylethenes (gem-DEEs)

Organometallics

Volumn 30, Issue 2, 2011, Pages 245-250

  Cao, Zhi ^a   Ren, Tong ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

3D-METAL COMPLEXES; A-DENSITY; B3LYP/LANL2DZ; BIMETALLIC COMPOUND; D ORBITALS; DFT STUDY; DIETHYNYLETHENE; ELECTRONIC DELOCALIZATION; MINIMAL INTERACTIONS; NATURAL BOND ORBITAL ANALYSIS; ORBITALS; STABLE EQUILIBRIUM;

CHEMICAL BONDS; CHROMIUM; COMPLEXATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; METAL COMPLEXES; TRANSITION METALS;

GEMS;

EID: 78751551183     PISSN: 02767333     EISSN: 15206041     Source Type: Journal    
DOI: 10.1021/om100870k     Document Type: Article

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