University Chemistry ›› 2020, Vol. 35 ›› Issue (9): 141-147.doi: 10.3866/PKU.DXHX201910023

• Chemistry Laboratory • Previous Articles     Next Articles

Teaching Reforms and Practices on Research-Oriented Computational Chemistry Experiment

Ruming Yuan1,*(), Qiang Fu2, Gang Fu1   

  1. 1 College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, Fujian Province, P. R. China
    2 Library of Xiamen University, Xiamen 361005, Fujian Province, P. R. China
  • Received:2019-10-14 Accepted:2020-02-14 Published:2020-02-21
  • Contact: Ruming Yuan E-mail:yuanrm@xmu.edu.cn

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Abstract:

Herein, we proposed a research-oriented computational chemistry experiment. During the experiment, students should design by-themselves the computational experiment through literature research, mechanism assumption, computational verification and data analysis. The course integration of fundamental knowledge and practical ability provided a good base to inspire the activity and creativity of the students. This experiment was set up for the realization of the target of cultivating research type talents.

Key words: Research-oriented experiment, DFT calculation, Organic reaction mechanism

MSC2000: 

  • G64