Modeling the spontaneous initiation of the polymerization of methyl methacrylate

Journal of Molecular Modeling

Volumn 14, Issue 11, 2008, Pages 1053-1064

  Zhang, Cuili ^a   Wang, Xueye ^a   Liu, Liming ^a   Wang, Yanling ^a   Peng, Xinyu ^a  

^a XIANGTAN UNIVERSITY   (China)

Author keywords

Density functional theory (DFT); Intrinsic reaction coordination (IRC); Methylmethacrylate (MMA); Spontaneous polymerization

Indexed keywords

METHACRYLIC ACID METHYL ESTER;

ARTICLE; CALCULATION; CHEMICAL REACTION; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DIELS ALDER REACTION; ENERGY TRANSFER; MOLECULAR MECHANICS; MOLECULAR MODEL; POLYMERIZATION; PRIORITY JOURNAL; THEORETICAL STUDY;

COMPUTER SIMULATION; METHYLMETHACRYLATE; MODELS, MOLECULAR; STEREOISOMERISM; THERMODYNAMICS;

ALNUS;

EID: 53149116647     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0344-6     Document Type: Article

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