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Citation: Huiying Xu, Minghui Liang, Zhi Zhou, Hui Gao, Wei Yi. Application of Quantum Chemistry Computation and Visual Analysis in Teaching of Weak Interactions[J]. University Chemistry, ;2025, 40(3): 199-205. doi: 10.12461/PKU.DXHX202407011 shu

Application of Quantum Chemistry Computation and Visual Analysis in Teaching of Weak Interactions

School of Pharmaceutical Sciences, Guangzhou Medical University, Guangzhou 511436, China

Corresponding author: Hui Gao, Wei Yi,
Received Date: 1 July 2024
Revised Date: 16 October 2024

Weak interactions play a crucial role in the chemistry education and are often encountered when studying both intramolecular and intermolecular interactions. These include the effects of hydrogen bonding on melting/boiling points, acidity/basicity, and isomerism, as well as the influence of conjugation on stability. This paper focuses on specific examples commonly found in university-level chemistry courses. By employing quantum chemistry calculations and wave function analysis, intuitive visual representations are generated to aid students in understanding key concepts and theories. This work aims to provide materials and case studies for teaching both theoretical and experimental aspects of organic chemistry.
- Weak interaction,
- Quantum chemistry calculation,
- Visual analysis,
- Hydrogen bond,
- Chemistry teaching
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