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

Published: 09-03-2021| Version 4 | DOI: 10.17632/hfynpvtrz3.4
Contributors:
Siripreeya Phankingthongkum,
Taweetham Limpanuparb

Description

• A step-by-step manual 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. • Visual step-by-step procedures necessary to complete the four assigned tasks of using the two programs, Avogadro and IQmol, are demonstrated in instructional videos. The content presented is identical to that of the manual but in a visual form. These demonstration videos of all tasks are in folders Task 1 to Task 4. The unlisted playlist is available at https://youtube.com/playlist?list=PLNbV5znV1KFuRzOXltx7-WsRjv-j4Pd0W

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