![](data:image/png;base64,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1.
课程代码/名称
Course Code/Title
理论与计算化学
2.
专业课
3.
课程学分/学时
Course Credit/Hours
3.00/48
4.
中文
5.
李隽
6.
无
计算化学是以计算机为工具
从量子力学、分子力学、统计力学等基础理论出发
借助于计算软件
来解决物质性质等化学相关问题的新学科。计算化学课程是多学科交叉的边缘课程,其内容不仅涉
及结构化学、量子化学, 还包含分子力学、分子动力学、从头算方法、半经验方法,密度泛函方法
等计算方法的原理与方法。在计算软件部分,我们将目前较为广泛使用的 ChemOffice,
GaussView,Gaussian 等分子建模、化学作图、科学作图和科学计算软件的使用等引入教学,在典
型算例部分,将利用计算软件获得物质的几何结构,分子轨道,电荷分布,以及反应的电子能,焓
变,自由能,反应速率等结果。使学生全面掌握应用计算化学解决化学相关问题的基本概念、基本
原理、基本方法和基本技能,拓宽学生的理论基础, 培养学生的创新思维与创造能力。通过理论与
上机相结合的授课方式,促使学生掌握具体问题具体分析,将理论知识融会贯通在实际问题的处理
过程中。通过实际项目的完成,培养学生思考问题,解决问题的能力。
计算化学是化学系必修课,共
学分,
学时。教材为
“Computational Chemistry - Introduction to the
Theory and Applications of Molecular and Quantum Mechanics”,部分内容有删减。该课程以计算机为
工具, 从量子力学、分子力学、统计力学等基础理论出发, 借助于计算软件来解决物质性质等化学
相关问题的新学科。计算化学课程是多学科交叉的边缘课程,其内容不仅涉及结构化学、量子化学
还包含分子力学、分子动力学、从头算方法、半经验方法,密度泛函方法等计算方法的原理与方
法。在计算软件部分,我们将目前较为广泛使用的 ChemO ffice,GaussView,Gaussian 等分子建
模、化学作图、科学作图和科学计算软件的使用等引入教学,在典型算例部分,将利用计算软件获
得物质的几何结构,分子轨道,电荷分布,以及反应的电子能,焓变,自由能,反应速率等结果。
使学生全面掌握应用计算化学解决化学相关问题的基本概念、基本原理、基本方法和基本技能,拓
宽学生的理论基础
培养学生的创新思维与创造能力。
简介(
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基本论题
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应用
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