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| Learning Molecular Geometry & Symmetry Through Quantum Computations and Mathcad™ Exercises© |
Franklin M.C. Chen
Department of Chemistry
University of Wisconsin-Green Bay
Green Bay, WI 54311-7001
United States
mail to: chenf@uwgb.edu
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| Abstract |
This Mathcad™ template is intended to help students learn about molecular geometry and symmetry calculations based on the coordinate data that are generated from quantum computation software such as HyperChem™. Typically, students taking quantum mechanics class at junior year of college have been exposed to vector calculus and matrix algebra. The molecular coordinate data serve as excellent real-world materials for students to appreciate the applications of linear algebra and to refresh their algebra learning experiences about linear transformations. In working with molecular linear transformations through hand-on exercise, students will learn about fundamental properties of quantum and symmetry operators.
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| Commentary |
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Keywords |
| Audiences: |
Upper-Division Undergraduate |
| Pedagogies: |
Computer-Based Learning |
| Domains: |
Physical Chemistry |
| Topics: |
Group Theory / Symmetry, Mathematics / Symbolic Mathematics, Quantum Chemistry |
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Documents |
| File Name | Description | Software Type | Software Version |
| HOLSymmetry.pdf |
Read-Only Document |
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HOLSymmetry.mcd  |
Mathcad 2001i Computational Document |
Mathcad |
2001i |
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| JCE Subscribers only: name and password or institutional IP number access required. |
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| Citations |
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Comments to: chenf@uwgb.edu
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©Copyright 2005 Journal of Chemical Education
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