The importance of conformational search: A test case on the catalytic cycle of the Suzuki-Miyaura cross-coupling

Theoretical Chemistry Accounts

Volumn 128, Issue 4, 2011, Pages 639-646

  Besora, Maria ^a   Braga, Ataualpa A C ^a   Ujaque, Gregori ^b   Maseras, Feliu ^a,b   Lledos A ^b  

^a INSTITUTE OF CHEMICAL RESEARCH OF CATALONIA ICIQ   (Spain)

^b UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

Conformational searches; Cross coupling; DFT; DFT MM

Indexed keywords

EID: 85027920530     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-010-0823-6     Document Type: Article

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