Direct esterification of p-nitrobenzoic
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Wenjing Zhang; Yanyan Zhu; Donghui Wei; Cong Zhang; Dongzhen Sun; Mingsheng Tang
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Article
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2011
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Elsevier
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English
⚖ 510 KB
Direct esterification reaction mechanism of the p-nitrobenzoic acid with n-butanol have been studied using density functional theory (DFT) by B3LYP and M06 with a 6-311++G(d,p) basis set, with the polarized continuum model (PCM) to simulate the solvent effects of pyridine. This project sheds light o