N-Heterocyclic carbene-catalyzed ring opening polymerization of ε-caprolactone with and without alcohol initiators: Insights from theory and experiment

Journal of Physical Chemistry B

Volumn 119, Issue 17, 2015, Pages 5728-5737

  Jones, Gavin O ^a   Chang, Young A ^b   Horn, Hans W ^a   Acharya, Ashwin K ^c   Rice, Julia E ^a   Hedrick, James L ^a   Waymouth, Robert M ^b  

^a IBM ALMADEN RESEARCH CENTER   (United States)

^b STANFORD UNIVERSITY   (United States)

^c UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; CHEMICAL BONDS; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; FORECASTING; FREE ENERGY; HYDROGEN; HYDROGEN BONDS; ORGANIC COMPOUNDS; POLYMERIZATION; POLYMERS;

BONDING MECHANISM; CATALYZED RING OPENING POLYMERIZATION; COMPUTATIONAL INVESTIGATION; EXPERIMENTAL KINETICS; N-HETEROCYCLIC CARBENES; NUCLEOPHILIC ATTACK; RATE OF POLYMERIZATION; TETRAHEDRAL INTERMEDIATES;

RING OPENING POLYMERIZATION;

EID: 84928962860     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.5b01595     Document Type: Article

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