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Introducing Q-Chem 5.0 Q-Chem 5.0 - Coming Soon!

Q-Chem 5.0:
Facilitating Worldwide Scientific Breakthroughs

Q-Chem is a comprehensive ab initio quantum chemistry package for accurate predictions of molecular structures, reactivities, and vibrational, electronic and NMR spectra. The new release of Q-Chem 4 represents the state-of-the-art of methodology from the highest performance DFT/HF calculations to high level post-HF correlation methods:


IQmol: The smart choice in molecular visualization software!

The above image, generated in IQmol, shows the lowest unoccupied molecular orbital (LUMO) for the 12-crown-4 ether complexed with a lithium cation. The mesh superimposed on the system shows the total density.

Q-Chem is available a stand-alone package with a fully integrated graphic interface IQmol. It also serves as the back-end of Spartan:

Spartan '14

Spartan '14: The latest addition to Wavefunction’s line of molecular modeling software for research and education!

Spartan '14 represents a significant improvement over previous versions in terms of ease of use, accuracy of results and accessibility in today’s increasingly mobile computer environment. Q-Chem is fully integrated into Spartan, allowing users to take full advantage of the most intuitive user interface in the business. For more information click visit

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