大学化学2018，Vol.33Issue(2)：22-28,7.DOI:10.3866/PKU.DXHX201709001
在结构化学教学中增设量子化学计算实验课的探索
Exploration on Introducing Experiments of Quantum Chemistry Calculation in Structural Chemistry Teaching
摘要
Abstract
Structural chemistry is a main and important curriculum for undergraduates in chemistry. In this paper, based on the students' interest in learning and the characteristics of the curriculum, introducing experiments of quantum chemistry calculation were proposed and applied in structural chemistry teaching. According to the key points and difficult points in the syllabus of structural chemistry, four basic experiments of quantum chemical calculation were designed and elaborated with detailed contents and implementation details. The teaching reform enables students to solve and understand chemical problems with the knowledge of structural chemistry and the computer as the instrument, thus improving the students' learning interest and the teaching effect.关键词
化学专业本科生/Materials Studio软件/DMol3模块/电子结构/分子光谱Key words
Undergraduates in chemistry/Materials Studio software/DMol3module/Electronic structure/Molecular spectrum分类
社会科学引用本文复制引用
徐香兰,王翔..在结构化学教学中增设量子化学计算实验课的探索[J].大学化学,2018,33(2):22-28,7.基金项目
江西省高等学校教学改革研究项目(JXJG-16-1-36) （JXJG-16-1-36）
江西省学位与研究生教育教学改革研究项目(JXYJG-2016-015) （JXYJG-2016-015）
