TBu or not tBu?

Chemistry - A European Journal

Volumn 18, Issue 6, 2012, Pages 1640-1649

  Nilsson Lill, Sten O ^a   Ryberg, Per ^b   Rein, Tobias ^b   Bennström, Evelina ^b   Norrby, Per Ola ^a  

^a UNIVERSITY OF GOTHENBURG   (Sweden)

^b ASTRAZENECA R AND D   (Sweden)

Author keywords

density functional calculations; Heck reaction; palladium; reaction mechanisms; regioselectivity

Indexed keywords

ARYL HALIDES; COMPUTATIONAL STUDIES; DFT METHOD; DISPERSION INTERACTION; EXPERIMENTAL DATA; EXPERIMENTAL OBSERVATION; HALIDE LIGAND; HECK COUPLING REACTION; HECK REACTIONS; LARGE DEVIATIONS; LITERATURE DATA; PARAMETERIZED; PHOSPHINE LIGANDS; REACTION MECHANISM; VINYL ETHERS;

DENSITY FUNCTIONAL THEORY; ETHERS; PALLADIUM; PHOSPHORUS COMPOUNDS; REGIOSELECTIVITY;

LIGANDS;

HALOGENATED HYDROCARBON; PALLADIUM; PHOSPHINE; PHOSPHINE DERIVATIVE;

ARTICLE; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; STEREOISOMERISM;

CATALYSIS; HYDROCARBONS, HALOGENATED; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PALLADIUM; PHOSPHINES; STEREOISOMERISM;

EID: 84856318760     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201102674     Document Type: Article

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