Quantum chemical mapping of initialization processes in RAFT polymerization

Macromolecular Rapid Communications

Volumn 27, Issue 13, 2006, Pages 1015-1022

  Coote, Michelle L ^a   Izgorodina, Ekaterina I ^a   Krenske, Elizabeth H ^a   Busch, Markus ^b   Barner Kowollik, Christopher ^c  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

^b DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

^c UNIVERSITY OF NEW SOUTH WALES   (Australia)

Author keywords

Ab initio calculations; Chain initialization; Polymerization mechanism and kinetics; Reversible addition fragmentation chain transfer (RAFT)

Indexed keywords

COMPUTER SIMULATION; CONCENTRATION (PROCESS); DATA REDUCTION; HOMOPOLYMERIZATION; MAPPING; MOLECULAR ORIENTATION; STYRENE;

EQUILIBRIUM CONSTANTS; MOLECULAR ORBITAL THEORY; QUANTUM CHEMICAL MAPPING; REVERSIBLE ADDITION FRAGMENTATION CHAIN TRANSFER (RAFT);

QUANTUM THEORY;

EID: 33746041072     PISSN: 10221336     EISSN: 15213927     Source Type: Journal    
DOI: 10.1002/marc.200600170     Document Type: Article

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