Citation: Xiufang Hou, Yuxin Ren, Wenzhuo Dong. 单环共轭多烯的结构与芳香性研究[J]. University Chemistry, ;2022, 37(6): 210800. doi: 10.3866/PKU.DXHX202108007 shu

单环共轭多烯的结构与芳香性研究

Department of Chemistry and Chemical Engineering, Yan'an University, Yan'an 716000, Shaanxi Province, China

Corresponding author: Xiufang Hou, houxf1977@126.com
Received Date: 5 August 2021

基于先进的量化计算软件Gaussian和波函数分析软件Multiwfn，研究结构化学课程中七种单环共轭多烯和环碳18的结构，形成“有图有真相”的立体直观的分子空间结构，形象化展示了各个分子的几何结构、分子尺寸、静电势、芳香性等。将课本知识与先进的量化软件结合起来，在量子化学层次上拓展有关芳香性的认识，引导学生加深对课本知识的理解，同时开拓学生的视野和知识层次。
- Monocyclic conjugated polyene,
- Hückel molecular orbital method,
- Aromaticity
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