Metal or nonmetal cooperation with a phenyl group: Route to catalysis? A computational investigation

ACS Catalysis

Volumn 3, Issue 5, 2013, Pages 920-927

  Ghatak, Kamalika ^a   Mane, Manoj ^a   Vanka, Kumar ^a  

^a NATIONAL CHEMICAL LABORATORY   (India)

Author keywords

catalysis; density functional theory; metal ligand cooperativity; small molecule activation

Indexed keywords

BIDENTATE LIGANDS; BOND ACTIVATION; COMPUTATIONAL INVESTIGATION; COOPERATIVITY; MAIN-GROUP ELEMENTS; PINCER COMPLEXES; QUANTUM-MECHANICAL CALCULATION; SMALL MOLECULE ACTIVATION;

AROMATIC COMPOUNDS; BORON; CATALYSIS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; LIGANDS; TRANSITION METALS;

NONMETALS;

EID: 84877313478     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/cs400174u     Document Type: Article

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