University Chemistry ›› 2021, Vol. 36 ›› Issue (1): 2012048.doi: 10.3866/PKU.DXHX202012048

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Computational Exercises in Undergraduate Organic Chemistry Laboratory

Tian Li, Pan Zhang, Lei Bian, Ling Guan, Xuanfeng Xu, Qihan Zhang(), Jieyu Wang(), Yingxia Wang()   

  • Received:2020-12-22 Accepted:2020-12-29 Published:2020-12-29
  • Contact: Qihan Zhang,Jieyu Wang,Yingxia Wang;;


The development of computer technology has promoted the application of computational chemistry teaching in undergraduate Laboratory. We have introduced computation module into our "organic chemistry laboratory", which, as one of the core courses, is set up for fresh undergraduate students. The calculation is carried out by Gaussian and Gauss View, and the results are used in understanding the experimental phenomena. Canvas teaching platform was applied to organize the materials, including videos, handouts, quiz, homework and discussion, and a flipping teaching type was adopted to improve the study efficiency. A course survey showed that the combination of the computation with lab work are very welcome by the students and obtained a satisfactory result.

Key words: Computational chemistry, Organic chemistry laboratory, Gaussian 03 program, Flipped classroom, Micro-course, Canvas platform