An introduction to Maple’s Quantum Chemistry Package (QCP) and its implementation in the chemistry classroom is presented.  Maple’s computer algebra engine and graphical interface is a powerful teaching tool, particularly in upper-level physical chemistry courses, to help students engage with the challenging mathematics encountered in quantum and statistical thermodynamics.  The QCP adds sophisticated electronic structure methods to enable computation and visualization of the electronic energies and properties of molecules, all in the same interface.  In this talk, we present some illustrative examples of how the QCP has been incorporated into the undergraduate chemistry curriculum at our institutions, from first-year general chemistry and upper-level physical chemistry to computational undergraduate research.

Incorporating Maple's Quantum Chemistry package in the chemistry curriculum

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ACS Fall 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.