- Cambridge Scientific@
- Chem-It
 - Freeware program for the novice chemistry student. The current version includes an interactive periodic table, conversion charts, and much more. - ChemKey Search Database
- Organic synthetic method database with thousands of references.
- CrystalDesigner
- A tool for building, studying and visualising all kinds of inorganic crystal structures on the Macintosh platform.
- EQS4WIN
- Calculates chemical equilibrium compositions for a broad range of systems, based on the algorithms of Smith and Missen.
- General Spectral Code (GENSPECT)
- Calculates absorption, emissivity, and transmission for atmospheric gases.
- Huckel Calculator
- Hypothesis Software
- 3D-QSAR software designed to run on the PC. Correlates structure to binding activity for up to 400 molecules
- Macs in Chemistry
- Resource for chemists using Apple Macintosh computers. Includes browser buttons, Applescripts, lists of available software, and links.
- Molscript
- A program for creating molecular graphics in the form of PostScript plot files
- NASA Glenn Equilibrium Program (CEA)
- CEA (Chemical Equilibrium with Applications) program calculates chemical equilibrium compositions and properties of complex mixtures.
- PovChem
- Combines chemistry and raytracing to create high quality graphics of molecular models.
- University of Massachusetts Amherst - Chemistry Higher Education Workgroup
- CHEW: develops computer-based learning materials for use in teaching and learning chemistry. Download Chemland, a suite of free interactive chemistry education modules.
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