大学化学 >> 2024, Vol. 39 >> Issue (3): 108-117.doi: 10.3866/PKU.DXHX202306005

所属专题： 晶体化学教学

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Python在结构化学可视化教学中的应用探索

王延忻1, 王宏娟1, 石玉仁2, 杨云霞1,*()   

  1. 1 西北师范大学化学化工学院, 兰州 730070
    2 西北师范大学物理与电子工程学院, 兰州 730070
  • 收稿日期:2023-06-02 录用日期:2023-11-23 发布日期:2024-01-08
  • 通讯作者: 杨云霞 E-mail:Yangyx80@163.com
  • 基金资助:
    国家自然科学基金(12065022);河南省优秀青年科学基金项目(212300410057);河南省科技研究与发展计划联合基金项目(222301420060)

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

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摘要：

介绍使用Python语言和科学计算库绘制结构化学中常见的氢原子s和p轨道波函数和电子云的图形的探索。在此过程中编写了多个脚本，通过数据处理和不同的生成算法实现波函数、电子云的可视化教学，旨在引导学生深入学习和理解波函数和电子云物理意义，提升学生自主思考和主动学习的能力。

关键词: 结构化学, Python, 波函数, 电子云, 可视化

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