University Chemistry ›› 2024, Vol. 39 ›› Issue (3): 108-117.doi: 10.3866/PKU.DXHX202306005

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Application of Python for Visualizing in Structural Chemistry Teaching

Yanxin Wang1, Hongjuan Wang1, Yuren Shi2, Yunxia Yang1,*()   

  1. 1 College of Chemistry and Chemical Engineering, Northwest Normal University, Lanzhou 730070, China
    2 College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070, China
  • Received:2023-06-02 Accepted:2023-11-23 Published:2024-01-08
  • Contact: Yunxia Yang E-mail:Yangyx80@163.com

Abstract:

This paper explores the use of the Python language and scientific computing libraries to visualize the wave functions and electron clouds of common hydrogen atomic s and p orbitals in structural chemistry. Multiple scripts have been developed in this process, employing data processing and various generation algorithms to achieve the visualization of wave functions and electron clouds. The aim is to guide students in a comprehensive study and understanding of the physical significance of wave functions and electron clouds. This approach enhances students' abilities for independent thinking and active learning.

Key words: Structural chemistry, Python, Wave function, Electron cloud, Visualization