在有机化学实验中设置计算化学模块

doi:10.3866/PKU.DXHX202012048

Abstract

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

Tian Li, Pan Zhang, Lei Bian, Ling Guan, Xuanfeng Xu, Qihan Zhang, Jieyu Wang, Yingxia Wang. Computational Exercises in Undergraduate Organic Chemistry Laboratory[J].University Chemistry, 2021, 36(1): 2012048.

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References 15

1	王溢磊; 李隽. 大学化学, 2018, 33 (10), 25. doi: 10.3866/PKU.DXHX201805020
2	胡红智; 马思渝. 计算化学实验, 北京:北京师范大学出版社, 2008.
3	王宝山; 侯华. 分子模拟实验, 北京:高等教育出版社, 2010.
4	许秀芳. 大学化学, 2017, 32 (2), 23.
5	张恒; 马莹; 刘刚; 张冬菊; 宋其圣; 苑世领. 大学化学, 2019, 34 (9), 26.
6	苑世领; 张恒; 张冬菊. 分子模拟——理论与实验,北京:化学工业出版社, 2016.
7	Blake ; E. Z. J. Chem. Educ. 2013, 90, 665. doi: 10.1021/ed300549z
8	Miriam ; C. R. G.; Alberto ; H. C.; Pilar. C. J. Chem. Educ. 2018, 95, 1386. doi: 10.1021/acs.jchemed.8b00147
9	An na ; M. F.; Megan ; J. T. J. Chem. Educ. 2014, 91, 2191. doi: 10.1021/ed500563w
10	Carrie ; S. M.; Mark ; E . J. Chem. Educ. 2015, 92, 1040. doi: 10.1021/ed500813d
11	Rodríguez Ortega ; P. G.; Montejo ; M.; Valera ; M. S.; López González ; J. J. J. Chem. Educ. 2019, 96, 1760. doi: 10.1021/acs.jchemed.9b00237
12	Clifford ; M. C.; Jeremy ; P. D.; Lauren ; E. D.; Tyler ; P. H.; Karen ; A. H.; Owen ; M. M.; Don ; L. W. J. Chem. Educ. 2013, 90, 1235. doi: 10.1021/ed2008735
13	Allen ; D. C.; Stephen ; F. N. J. Chem. Educ 2009, 86, 955. doi: 10.1021/ed086p955
14	Brian ; J. E.; Nicholas ; J. H. J. Chem. Educ. 2016, 93, 932. doi: 10.1021/acs.jchemed.5b00815
15	Maria ; A. Z.; Cara ; E. S.; Asif ; D. H.; Nicholas ; J. H.; Brian ; J. E. J. Chem. Educ 2018, 95, 1960. doi: 10.1021/acs.jchemed.8b00310

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Computational Exercises in Undergraduate Organic Chemistry Laboratory

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