Computational evidence for self-initiation in spontaneous high-temperature polymerization of methyl methacrylate

Journal of Physical Chemistry A

Volumn 115, Issue 6, 2011, Pages 1125-1132

  Srinivasan, Sriraj ^a   Lee, Myung Won ^b   Grady, Michael C ^c   Soroush, Masoud ^a   Rappe, Andrew M ^b  

^a Drexel University   (United States)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

^c Experimental Station   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIELS ALDER ADDUCTS; DIRADICAL INTERMEDIATES; DIRADICAL MECHANISM; DIRADICALS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; HIGH-TEMPERATURE POLYMERIZATION; HYDROGEN ABSTRACTION; INITIATION MECHANISM; LABORATORY EXPERIMENTS; MP2/6-31G; SPIN-ORBIT COUPLING CONSTANTS; SPONTANEOUS POLYMERIZATION; THERMAL POLYMERIZATIONS; TRANSITION STATE; TRIPLET SURFACES;

CARBOXYLATION; DENSITY FUNCTIONAL THEORY; ESTERS; POLYMERIZATION; POLYMERS; QUANTUM CHEMISTRY; RATE CONSTANTS;

ACRYLIC MONOMERS;

EID: 79951523912     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp107704h     Document Type: Article

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