From: chemistry-request at
To: chemistry-request at
Date: Thu Oct 30 18:06:03 2014
Subject: 15.03.21 User Workshop for Q-Chem - Day before 249th ACS Meeting in Denver
Dear Colleagues,

Q-Chem would like to invite you to a user workshop in conjunction with the 249th American 
Chemical Society National Meeting in Denver, Colorado.   

Q-Chem is a comprehensive ab initio software package, and the Q-Chem 4.2 release includes 
the latest theoretical/computational advances from Q-Chem's over 150 developers.

At the workshop, we will give an overview of the Q-Chem software package, especially those 
new features from the latest 4.2 release, and will use a new, previously unreleased version of 
IQmol graphical interface to provide hands-on tutorials of how to use the Q-Chem Program. 
We will highlight:

- new density functional theory (DFT) and wave function theory (especially perturbation theory 
and coupled-cluster methods) for ground and excited-states;

- new tools for studying chemical reactions;

- application of quantum chemistry methods in energy and materials research;

- energy decomposition analysis;

- QM/MM calculations.

All workshop participants will receive a free four-month license for unlimited use of Q-Chem 4.2.
Space is limited to 75 registrants, so please register as soon as possible.  
Register at

We look forward to seeing you in Denver.

Happy computing,
The Q-Chem team
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