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There is now a CONTENT FREEZE for Mercury while we switch to a new platform. It began on Friday, March 10 at 6pm and will end on Wednesday, March 15 at noon. No new content can be created during this time, but all material in the system as of the beginning of the freeze will be migrated to the new platform, including users and groups. Functionally the new site is identical to the old one. webteam@gatech.edu
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Prof. Peter Pulay, University of Arkansas
Calculation of the electronic structure and geometry of large systems. Applications to the interaction of water with hydrophobic surfaces, pKa predictions, and ZnS and TiO2 clusters
For more information contact Dr. David Sherrill (404-894-4037).