- Online book: Applications of Molecular and Materials Modeling by Westmoreland, Kollman, et al. (also available in hardback from Kluwer, 2002)
- Web text on Molecular Simulation
- List of on-line guides and tutorials by NIH Center for Molecular Modeling
- Theoretical Chemistry: A Self-Guided Introduction for College Students (Jack Simons)
- A Brief Review of Elementary Quantum Chemistry by C. David Sherrill, Georgia Tech
- On-line course in "Computational Chemistry and Organic Synthesis" by Hens Borkent at the CAOS/CAMM Center (The Dutch National Center for Computer-Aided Chemistry and Bioinformatics), University of Nijmegen, the Netherlands
- Graphics for molecular modeling by François Savary of the University of Geneva
- Ab initio quantum chemistry by Mike Colvin, Lawrence Livermore National Laboratory
- Online course in Molecular Modelling for Organic Chemistry (Henry Rzepa)
- Java educational modules on Maxwell-Boltzmann distrubution and atomic quantum mechanics, Andy Rappe and Charlotte Zales
- Aids for teaching chemistry, Cambridge University