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Citation: Qi Liang, Xinxin Wang, Xinmiao Zhao, Mohan Yu, Yue Sun. 电子圆二色谱结合量子化学计算的氨基酸手性解析——介绍一个计算化学综合实验[J]. University Chemistry, ;2026, 41(5): 380-390. doi: 10.12461/PKU.DXHX202511096 shu

电子圆二色谱结合量子化学计算的氨基酸手性解析——介绍一个计算化学综合实验

College of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116025, Liaoning Province, China

Corresponding author: Mohan Yu, Yue Sun,
Received Date: 14 November 2025
Revised Date: 26 February 2026

为适应现代学科交叉发展趋势的本科课程建设，本创新实验将电子圆二色光谱(ECD)仪器表征与量子化学计算结合，测定手性氨基酸图谱、筛选优化优势构象并计算理论光谱，通过对比实验与理论结果判定其绝对构型，并深入分析跃迁性质。本实验可以帮助学生掌握大型分析仪器的使用和ECD的理论计算方法，提升学生科研能力。
- Chirality,
- Electronic circular dichroism spectroscopy,
- Theoretical calculation,
- Amino acid
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