Computational Chemistry in the Curriculum
A curated list of resources for incorporating computational chemistry into the curriculum. As a continuous work in progress , this list may contain omissions that are purely accidental. Please feel free to send missing links or new material to MoleCVUE.
Computational activities grouped by chemistry course.
Need a particular basis set for an element? Here's where to find them.
Whether you're designing a small module or an entire course, these syllabi, slides, exams and assignments are good points of reference.
RSC Learn Chemistry: Computational Chemistry - Introductory handouts, videos, exercises and assessment materials.
Designing a new activity and want to check your results against known experimental and theoretical values?
These sites eliminate the need for a local cluster.
Chem Compute - Free server for undergraduate teaching and research
MERCURY Consortium - Primarily Undergraduate Institutions across the USA
North Carolina High School Computational Chemistry Server - Serving North Carolina students & teachers
Computational pedagogy grouped by delivery method.
These digital texts maybe helpful for more than just online courses.
A large amount of computational chemistry software exists and keeping track of it can be tricky.
MolSSI Molecular Software Database - One stop shopping
GaussView - Molecular editor & visualization
IQmol - Molecular editor & visualization
MolView - 2D & 3D molecular visualization
WebMO - Web-based interface to computational chemistry packages
These videos are helpful both inside and outside a flipped classroom environment.
Chris J. Cramer: Computational chemistry - Videos for Chem 4021/8021 Computational Chemistry at the Univ. of Minnesota: a class taken by seniors and 1st-year graduate students
Exploring Chemistry (Foresman & Frisch) - Videos to compliment Exploring Chemistry 3rd Edition
Gaussian Inc - Tutorial videos