Dennis SvatunekSep 27, 20191 min readDoing 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 SvatunekJul 8, 20191 min readautoDIAS published in JCCOur paper about our python tool for an automated Distortion/Interaction Activation Strain analysis is online in the Journal of...
Dennis SvatunekMay 8, 20191 min readADF availableThanks to a grant from the Hochschuljubiläumsstiftung of the city of Vienna we now have ADF available for use on the VSC3 in Vienna....