Oxidative addition transition states of Pd(0) complexes in polar solvent - A DFT study involving implicit and explicit solvation

Tetrahedron

Volumn 69, Issue 27-28, 2013, Pages 5715-5718

  Lyngvi, Eirik ^a   Schoenebeck, Franziska ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

Acetonitrile; Computational; Oxidative addition; Palladium; Transition state

Indexed keywords

ACETONITRILE; PALLADIUM COMPLEX; SOLVENT;

ARTICLE; CALCULATION; CATALYSIS; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; GEOMETRY; OXIDATION; OXIDATIVE ADDITION; PHYSICAL PHENOMENA; PRIORITY JOURNAL; PROCESS OPTIMIZATION; REACTION ANALYSIS; SOLVATION; TRANSITION STATE;

EID: 84878497952     PISSN: 00404020     EISSN: 14645416     Source Type: Journal    
DOI: 10.1016/j.tet.2013.03.095     Document Type: Article

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