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Citation: Ruming Yuan, Laiying Zhang, Xiaoming Xu, Pingping Wu, Gang Fu, Bin Ren. 从微观结构到宏观极性：实验与计算协同解析偶极矩[J]. University Chemistry, ;2026, 41(9): 293-300. doi: 10.12461/PKU.DXHX202508054 shu

从微观结构到宏观极性：实验与计算协同解析偶极矩

National Demonstration Center for Experimental Chemistry Education (Xiamen University), College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, Fujian Province, China

Corresponding author: Ruming Yuan, yuanrm@xmu.edu.cn
Received Date: 15 August 2025
Revised Date: 13 October 2025

针对传统偶极矩实验中“重操作、轻机理”的局限性，本文依托化学“101计划”化学测量学实验，提出“实验测定-计算模拟”深度融合的教学模式。以溶液法偶极矩测定实验为基础，引入Gaussian/GaussView量化计算工具，引导学生结合静电势和自然键轨道电荷解析偶极本质、溶剂效应及构象调控。通过“基础-进阶-创新”三层次模块构建“结构-性质-功能”的贯通认知，提升学生从实验技能到分子设计的综合能力，为培养兼具实践与创新能力的复合型化学人才提供教学范式。
- Chemistry “101 Plan”,
- Dipole moment,
- Computational simulation,
- Molecular design
1. [1]
2. [2]
3. [3]
4. [4]
5. [5]
  J.S. Murray, P. Politzer, WIRES Comput. Mol. Sci. 2011, 1(2), 153.
6. [6]
7. [7]
  B. Mennucci, WIRES Comput. Mol. Sci. 2012, 2(3), 386.
8. [8]
  R. Dennington, T.A. Keith, J.M. Millam, GaussView, Version 6. Semichem Inc.: Shawnee Mission, KS, USA, 2016.
9. [9]
  M.E. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M. Robb, J.R. Cheeseman, G. Scalmani, V.P. Barone, G.A. Petersson, H.J. Nakatsuji, et al., Gaussian 16, Gaussian, Inc.: Wallingford, CT, USA, 2016.
10. [10]
  M. Jorge, J.R.B. Gomes, M.C. Barrera, J. Mol. Liq. 2022, 356, 119033.
11. [11]
  M. Máximo-Canadas, I. Borges, Jr., J. Mol. Model. 2024, 30, 120.
12. [12]
  B. Wang, H. Li, Q. Dai, M. Zhang, Z. Zou, J.L. BrØdas, Z. Lin, Angew. Chem. Int. Ed. 2021, 60, 17664.
1. [1]
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