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Citation: ZHANG Chunfang, ZHANG Cuimiao, LI Jiangtao, HAN Linyu, GU Fang, WANG Haijun. Exploration for the Implementation of Density-Functional-Theory Computations into Chemistry Teaching at College: Theoretical Study on the Alkalescence Hydrolysis Reaction Mechanism of Ethyl Acetate[J]. University Chemistry, ;2019, 34(6): 81-86. doi: 10.3866/PKU.DXHX201811002 shu

Exploration for the Implementation of Density-Functional-Theory Computations into Chemistry Teaching at College: Theoretical Study on the Alkalescence Hydrolysis Reaction Mechanism of Ethyl Acetate

College of Chemistry & Environmental Science, Hebei University, Baoding 071002, Hebei Province, P. R. China

Received Date: 5 November 2018

The alkalescence hydrolysis reaction mechanism of ethyl acetate was investigated by using Gaussian 09 package. Based on the chemistry knowledge from organic chemistry, physical chemistry and structural chemistry in the regime of chemistries at universities, the strategy about how to resolve and analyze the mechanism has been elaborated in this paper, which is a useful exploration on introducing density-functional-theory computation into chemistry teaching at college.
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