研究型计算化学实验改革与实施

Teaching Reforms and Practices on Research-Oriented Computational Chemistry Experiment

针对目前的计算化学实验进行改革,在不知晓实验结果的前提下,通过学生自主查阅文献,设计机理,计算验证,数据分析,并得出结论,从而充分发挥学生的主观能动性和创新性,使其将所学的理论知识加以综合运用来解决实际问题。该实验是为拔尖班学生独立开设的课程,有助于本科研究型人才的培养。

Herein,we proposed a research-oriented computational chemistry experiment.During the experiment,students should design by-themselves the computational experiment through literature research,mechanism assumption,computational verification and data analysis.The course integration of fundamental knowledge and practical ability provided a good base to inspire the activity and creativity of the students.This experiment was set up for the realization of the target of cultivating research type talents.