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Title: Practical computational chemistry: This title is not an oxymoron
Computational chemistry is no longer seen as just an academic exercise. Researchers in academia and industry are now aware of the benefits associated with theoretical predictions of molecules. However, there is a skills-gap associated with teaching/learning the basics and the applications of computational chemistry. Herein, we describe the development and utilization of several quantum chemical exercises for educational purposes.  more » « less
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ACS Spring 2024
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National Science Foundation
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