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Doing CompChem on PCs?
With the increase in computing power I'm wondering how much of (organic) computational chemistry could be done on a single PC. A short...

Dennis Svatunek
Sep 27, 20191 min read
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autoDIAS published in JCC
Our paper about our python tool for an automated Distortion/Interaction Activation Strain analysis is online in the Journal of...

Dennis Svatunek
Jul 8, 20191 min read
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ADF available
Thanks to a grant from the Hochschuljubiläumsstiftung of the city of Vienna we now have ADF available for use on the VSC3 in Vienna....

Dennis Svatunek
May 8, 20191 min read
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