A theoretical study of molecular conformations and gelation ability of N,N′-dipyridyl urea compounds in ethanol solution: DFT calculations and MD simulations
Abstract
The molecular conformations and
* Corresponding authors
a
School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang, P. R. China
E-mail:
mengsc@ujs.edu.cn
b Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry of MOE, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, P. R. China
The molecular conformations and
S. Meng, Y. Tang, Y. Yin, X. Yin and J. Xie, RSC Adv., 2013, 3, 18115 DOI: 10.1039/C3RA43056A
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