期刊名称：Walailak Journal of Science and Technology (WJST)
印刷版ISSN：2228-835X
出版年度：2011
卷号：4
期号：2
页码：249-258
语种：English
出版社：Institute of Research and Development, Walailak University.
摘要：In order to teach quantum concepts to primary school students, new molecular models have been developed to better visualize a few typical molecules. Both computer and physical molecular models particularly those displaying functional groups were created from Atoms in Molecules (AIM) theory. The surface of each model was calculated from 0.01 atomic unit (au) electron density surface of the molecule. MORPHY was used to calculate an inter-atomic surface (IAS), and several software programs such as Gaussian, VMD, Points2Polys, and Vizx3D were utilized to create three dimensional models. Different functional groups were colored, and connections between the functional groups were shown by IAS. The final physical molecular models were prepared by a rapid prototype machine at Thailand National Metal and Materials Technology Center (MTEC).
关键词：Molecular models, X3D, Atoms in Molecules theory, functional groups
