What makes for a bad catalytic cycle? A theoretical study on the suzuki-miyaura reaction within the energetic span model

ACS Catalysis

Volumn 1, Issue 4, 2011, Pages 246-253

  Kozuch, Sebastian ^a   Martin, Jan M L ^b  

^a WEIZMANN INSTITUTE OF SCIENCE   (Israel)

^b UNIVERSITY OF NORTH TEXAS   (United States)

Author keywords

cross coupling; density functional theory; energetic span; Suzuki Miyaura; theoretical

Indexed keywords

AS-LIGANDS; CATALYTIC CYCLES; CATALYTIC TURNOVER; CROSS-COUPLINGS; DENSITY FUNCTIONAL THEORY METHODS; DIPHOSPHINES; ENERGETIC SPAN; ENERGY STATE; LOW ENERGIES; SUZUKI-MIYAURA; SUZUKI-MIYAURA CROSS-COUPLING REACTION; SUZUKI-MIYAURA REACTION; THEORETICAL; THEORETICAL STUDY; TURNOVER NUMBER;

CHEMICAL BONDS; CHEMICAL REACTIONS; LIGANDS;

DENSITY FUNCTIONAL THEORY;

EID: 79953692134     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/cs100129u     Document Type: Article

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