计算化学在无机化学中的教学研究与实践

引用本文: 李旭, 李清兰, 王庆吉. 计算化学在无机化学中的教学研究与实践[J]. 大学化学, 2025, 40(7): 345-351. doi: 10.12461/PKU.DXHX202408114 shu

Citation: Xu Li, Qinglan Li, Qingji Wang. Research and Practice of Computational Chemistry in Inorganic Chemistry Education[J]. University Chemistry, 2025, 40(7): 345-351. doi: 10.12461/PKU.DXHX202408114 shu

计算化学在无机化学中的教学研究与实践

李旭 ^{1,2,
,} ,
李清兰 ^2, ,
王庆吉 ^3,

1.
海南师范大学化学与化工学院, 海口 571158;
2.
广东工业大学轻工化工学院, 广州 510006;
3.
海南大学信息与通信工程学院, 海口 570228

通讯作者: 李旭，Email: 920491@hainnu.edu.cn

基金项目:
国家自然科学基金委联合基金项目(U22A20427)；国家自然科学基金委青年科学基金项目(21905053)；广东工业大学校级教改项目(263302464)

摘要: 在无机化学教学改革中，利用计算化学辅助教学实践可以将抽象的概念直观化，形象地展示分子轨道、过渡态结构、揭示酸碱理论、预测反应活性、构建模型、阐述表面电子态。通过具体的实例计算和分析，在课堂上能够提高教学的兴趣，调动起学生自主学习研究的积极性，丰富教学内容，加深理论化学的理解，提升无机化学教学效果。

关键词:

English

Research and Practice of Computational Chemistry in Inorganic Chemistry Education

Xu Li ^{1,2,
,} ,
Qinglan Li ^2, ,
Qingji Wang ^3,

1.
School of Chemistry and Chemical Engineering, Hainan Normal University, Haikou 571158, China;
2.
School of Light Industry and Chemical Engineering, Guangdong University of Technology, Guangzhou 510006, China;
3.
School of Information and Communication Engineering, Hainan University, Haikou 570228, China

Corresponding author: Xu Li, 920491@hainnu.edu.cn

Received Date: 26 August 2024
Revised Date: 16 October 2024
Available Online: 15 November 2024

Abstract: In teaching reform of inorganic chemistry, integrating computational chemistry into inorganic chemistry instruction enhances teaching by making abstract concepts more accessible and visually intuitive. This approach allows for the dynamic illustration of molecular orbital structures, transition states, acid-base theories, reaction activity predictions, model construction, and surface electronic states of materials. Through targeted calculations and example-based analyses, computational chemistry fosters engagement, motivates independent student research, enriches course content, deepens students’ understanding of theoretical chemistry, and ultimately enhances teaching effectiveness in inorganic chemistry.

Key words:

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通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

计算化学在无机化学中的教学研究与实践

通讯作者: 李旭，Email: 920491@hainnu.edu.cn

English

Research and Practice of Computational Chemistry in Inorganic Chemistry Education

Corresponding author: Xu Li, 920491@hainnu.edu.cn

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

计算化学在无机化学中的教学研究与实践

通讯作者: 李旭，Email: 920491@hainnu.edu.cn

English

Research and Practice of Computational Chemistry in Inorganic Chemistry Education

Corresponding author: Xu Li, 920491@hainnu.edu.cn

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

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CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

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