Density functional theory study on the reaction mechanism of synthesizing 1,3-dimethyl-2-imidazolidinone by urea method

Journal of Molecular Modeling

Volumn 19, Issue 1, 2013, Pages 49-55

  Yao, Shujuan ^a   Chen, Huayong ^b   Jiang, Shu ^c   Shao, Xin ^a   Cui, Shouxin ^a  

^a LIAOCHENG UNIVERSITY   (China)

^b SOUTH CHINA UNIVERSITY OF TECHNOLOGY   (China)

^c UNIVERSITY OF UTAH   (United States)

Author keywords

2 imidazolidinone; Density functional theory; Urea method; Water catalysed cyclization

Indexed keywords

1,3 DIMETHYL 2 IMIDAZOLIDINONE; AMMONIA; CARBON; ETHYLENEDIAMINE; IMIDAZOLE DERIVATIVE; NITROGEN; PROTON; UNCLASSIFIED DRUG; UREA; WATER;

ARTICLE; ATOM; CATALYSIS; CHEMICAL REACTION; CHEMICAL REACTION KINETICS; CYCLIZATION; DENSITY FUNCTIONAL THEORY; PRIORITY JOURNAL; SYNTHESIS;

EID: 84872284045     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1499-8     Document Type: Article

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