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Citation: Yanxin Wang, Hongjuan Wang, Yuren Shi, Yunxia Yang. Application of Python for Visualizing in Structural Chemistry Teaching[J]. University Chemistry, ;2024, 39(3): 108-117. doi: 10.3866/PKU.DXHX202306005 shu

Application of Python for Visualizing in Structural Chemistry Teaching

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

Corresponding author: Yunxia Yang, Yangyx80@163.com
Received Date: 2 June 2023

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.
- Structural chemistry,
- Python,
- Wave function,
- Electron cloud,
- Visualization
1. [1]
2. [2]
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4. [4]
5. [5]
6. [6]
7. [7]
8. [8]
9. [9]
10. [10]
11. [11]
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