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Citation: XU Xianglan, WANG Xiang. Exploration on Introducing Experiments of Quantum Chemistry Calculation in Structural Chemistry Teaching[J]. University Chemistry, ;2018, 33(2): 22-28. doi: 10.3866/PKU.DXHX201709001 shu

Exploration on Introducing Experiments of Quantum Chemistry Calculation in Structural Chemistry Teaching

XU Xianglan ,
WANG Xiang

College of Chemistry, Nanchang University, Nanchang 330031, P. R. China

Received Date: 1 September 2017

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.
- Undergraduates in chemistry,
- Materials Studio software,
- DMol³ module,
- Electronic structure,
- Molecular spectrum
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