Dear Colleague,

We are happy to announce the release of Q-Chem 3.2, which adds quite a few latest developments in the field to our comprehensive and high-performance ab initio electronic structure program.  Some of the new features in Q-Chem 3.2 are:

1. More accurate DFT calculations with long-range corrected functionals, especially for charge-transfer excitations, and with empirical van der Waals corrections;
2. DFT calculation with constrained charge distribution;
3. Minnesota's SM8 solvation model for energy and gradient;
4. Energy decomposition analysis based absolutely localized molecular orbitals;
5. New and improved post-HF methods including dual-basis MP2 and EOM-IP-CCSD;
6. Full QM/MM Hessian.

For a complete list, please visit Q-Chem 3.2 page:
http://www.q-chem.com/q-chem.htm. 
We encourage you to take advantage of the free evaluation offer on the website.

We would also like to take the opportunity to remind you about our coming workshop on March 19th&20th at Pittsburgh Supercomputing Center.  The workshop provides a great chance to meet with leading developers in the field and gain detailed knowledge about the latest methods and tools in computational quantum chemistry.  Due to popular demand, we have extended our free offer for the workshop to February 19th.  A detailed schedule has been added to the workshop webpage (http://www.q-chem.com/ws_hh.html). Please visit it for the details.

Happy Computing!

Jing Kong

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Jing Kong, Ph.D., CEO&Chief Scientist, Q-Chem Inc. (http://www.q-chem.com)