Predicting the catalytic efficiency by quantum-chemical descriptors: Theoretical study of pincer metallic complexes involved in the catalytic Heck reaction

Journal of Organometallic Chemistry

Volumn 691, Issue 13, 2006, Pages 2978-2986

  Tabares Mendoza, Carolina ^a   Guadarrama, Patricia ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Absolute hardness; DFT; Heck reaction; Pincer metallic complexes; Quantum chemical descriptors; Turnover numbers

Indexed keywords

CATALYST ACTIVITY; COMPLEXATION; HARDNESS; MOLECULAR STRUCTURE;

ABSOLUTE HARDNESS; HECK REACTION; PINCER METALLIC COMPLEXES; QUANTUM CHEMICAL DESCRIPTORS; TURNOVER NUMBERS;

ORGANOMETALLICS;

EID: 33747431842     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2006.03.007     Document Type: Article

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