大学化学 >> 2021, Vol. 36 >> Issue (1): 2012048.doi: 10.3866/PKU.DXHX202012048

专题 上一篇    

在有机化学实验中设置计算化学模块

李田, 张攀, 边磊, 关玲, 徐烜峰, 张奇涵(), 王婕妤(), 王颖霞()   

  • 收稿日期:2020-12-22 录用日期:2020-12-29 发布日期:2020-12-29
  • 通讯作者: 张奇涵,王婕妤,王颖霞 E-mail:zqh@pku.edu.cn;jieyuwang@pku.edu.cn;yxwang@pku.edu.cn
  • 作者简介:Email: yxwang@pku.edu.cn(王颖霞)
    Email: jieyuwang@pku.edu.cn(王婕妤)
    Email: zqh@pku.edu.cn(张奇涵)
  • 基金资助:
    北京大学2020年教学新思路2.0项目;北京大学2020年设备部实验教学改革项目

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 E-mail:zqh@pku.edu.cn;jieyuwang@pku.edu.cn;yxwang@pku.edu.cn

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摘要：

计算化学快速发展，对于化学研究有非常强的指导作用，因此将其引入本科低年级实验教学很有必要。本文在调研国内外高校计算化学课程开设情况的基础上，根据本院学生特点和课程的需要，在面向大一本科生的核心实验课程——有机化学实验中引入了计算模块。模块设计从实验问题出发，将计算项目和实验紧密结合，采用分层次教学的模式进行。利用Canvas线上教学平台对微课、讲义、作业、测验等学习资源进行有效组织，通过直播课和微信群进行讨论和答疑，以翻转课堂的形式进行混合式教学，取得了很好的教学效果。

关键词: 计算化学, 有机化学实验, Gaussian 03程序, 翻转课堂, 微课, Canvas教学平台

Abstract:

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