ONIOM study of the active species in Pd-phosphine catalyzed coupling reactions

Journal of Molecular Structure: THEOCHEM

Volumn 632, Issue 1-3, 2003, Pages 121-129

  Cundari, Thomas R ^a,b   Deng, Jun ^a,c   Zhao, Yong ^a  

^a University of Memphis   (United States)

^b UNIVERSITY OF NORTH TEXAS   (United States)

^c PPG INDUSTRIES   (United States)

Author keywords

Density functional theory; Palladium complexes; Palladium phosphine

Indexed keywords

PALLADIUM COMPLEX; PHOSPHINE DERIVATIVE;

ARTICLE; CALCULATION; CATALYSIS; CHEMICAL BOND; CHEMICAL REACTION; MOLECULAR INTERACTION; MOLECULAR MECHANICS; MOLECULAR STABILITY; QUANTUM MECHANICS; THEORY;

EID: 0242558204     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00293-8     Document Type: Article

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