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A Virtual Alternative to Molecular Model Sets: A Beginners' Guide to Constructing and Visualizing Molecules in Open-source Molecular Graphics Software

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Mendeley Data2020-11-02 更新2026-04-09 收录
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A step-by-step guide designed for first-year undergraduates in a general chemistry laboratory class to manipulate the two open-source molecular graphics software, Avogadro (1.2.0) and IQmol (2.14) to construct and visualize molecules as a virtual alternative to physical molecular model sets. Four different tasks are designed in alignment with selected topics in general chemistry including VSEPR, Electron Density and Molecular Orbitals, Polarity, and Bond-line Structures. This manual can be used as a basic guide for students to apply the two programs where modifications of the tasks can be made to comply with different class settings. The manual is NOT intended for computational chemistry users of the program but for basic use to accommodate introductory-level chemistry teaching & learning.
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2020-11-02
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