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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  
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a
Key Laboratory of Pesticide and Chemical Biology of Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P. R. China
b
College of Chemistry and Material Science, South-Central University for Nationalities, Wuhan 430074, P. R. China
c
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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