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Citation: Xin Zhang, Peinan He. 浅谈物理化学中过渡态的搜索方法[J]. University Chemistry, ;2021, 36(8): 201201. doi: 10.3866/PKU.DXHX202012018 shu

浅谈物理化学中过渡态的搜索方法

Xin Zhang ^, ,
Peinan He

State Key Laboratory of Chemical Resource Engineering, College of Chemistry, Beijing University of Chemical Technology, Beijing 100029, China

Corresponding author: Xin Zhang, zhangxin@mail.buct.edu.cn
Received Date: 11 December 2020

在物理化学教学中，过渡态理论是化学动力学学习的重点和难点。通过三种计算方法搜索反应过渡态，并展示了温度对吉布斯自由能、反应速率常数的影响，让学生对过渡态和反应过程有更加直观、清晰的认识，帮助学生更好地丰富和理解化学动力学理论。
- Transition state,
- Chemical kinetics,
- Physical chemistry
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