Computational chemistry in the undergraduate inorganic curriculum
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John P. Canal
Abstract
The introduction of computation chemistry has increased in the undergraduate chemistry curriculum. Our method of instruction is centred on an online, self-paced approach where students interact with the material through an instructional handbook, videos, and assignments. In our inorganic undergraduate curriculum students explore computational chemistry though optimization of organometallic complexes, modelling the infrared (IR) and nuclear magnetic resonance (NMR) spectra and investigation of the shape and energy of molecular orbitals. These results are compared to experimentally determined data. The effectiveness of introducing students to computational chemistry to characterize organometallic compounds will be highlighted.
Funding source: Simon Fraser University
Award Identifier / Grant number: Unassigned
Acknowledgments
The author would like to thank the Department of Chemistry at Simon Fraser University (SFU) for financial support and the students of CHEM 336 (Spring 2020 and 2021 semesters) who completed the assignment and provided feedback.
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Author contributions: The author has accepted responsibility for the entire content of this submitted manuscript and approved submission.
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Research funding: The author would like to thank the Department of Chemistry at Simon Fraser University (SFU) for financial support.
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Conflict of interest statement: The author declares no conflicts of interest regarding this article.
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Articles in the same Issue
- Frontmatter
- Reviews
- Biopolymeric composite materials for environmental applications
- Evaluation of phytochemicals and amino acid profiles of four vegetables grown on a glyphosate contaminated soil in Southwestern Nigeria
- Synthesis, characterization and in vitro activity study of some organotin(IV) carboxylates against leukemia cancer cell, L-1210
- Maximizing advantages and minimizing misinterpretation risks when using analogies in the presentation of chemistry concepts: a design challenge
- Computational chemistry in the undergraduate inorganic curriculum
- Phytochemical components and GC–MS analysis of Petiveria alliaceae L. fractions and volatile oils
- Sugar palm (Arenga p innata) thermoplastic starch nanocomposite films reinforced with nanocellulose
- Photoprotection strategies with antioxidant extracts: a new vision
- Light-driven bioprocesses
- A systematic DFT study of arsenic doped iron cluster AsFe n (n = 1–4)
