Educational materials published here are developed by the Q-Chem community of users and developers. If you are teaching a class in computational, physical, quantum chemistry or another similar discipline, feel free to incorporate labs and exercises found here into the curriculum.
- Getting started with IQmol
- Computational labs with Q-Chem
- Experimental (FTIR)/Computational Characterization Projects
If you'd like to contribute IQmol or Q-Chem labs or exercises into our collection, fork this repository, make changes as appropriate, and submit a pull request. When making changes, follow these rules:
- Each new series of labs or exercises must be contained in a subdirectory
- Create README.md to describe the exercises, follow the style of existing labs
- Ensure that README.md contains a complete list of contributors
- Pull request must contain the authors' express permission to publish the materials under the CC BY-NC-SA 4.0 license
If you find a problem with one of the labs contained here, please post an issue against this repository to let us know.
This work is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.
