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Reaction pathways and free energy profiles for spontaneous hydrolysis of urea and tetramethylurea: unexpected substituent effects

Min Yao,ac   Wenlong Tu,a   Xi Chen*bc and   Chang-Guo Zhan*c  
Corresponding authors
Key Laboratory of Pesticide and Chemical Biology of Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P. R. China
College of Chemistry and Material Science, South-Central University for Nationalities, Wuhan 430074, P. R. China
Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, USA
E-mail: zhan@uky.edu, ccnuchen@yahoo.com
Org. Biomol. Chem., 2013,11, 7595-7605

DOI: 10.1039/C3OB41055B
Received 21 May 2013, Accepted 17 Sep 2013
First published online 07 Oct 2013
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