This webservice provides a simple way to calculate the corrections to B3LYP/6-31G* calculations as proposed in H. Kruse, L. Goerigk, S. Grimme submitted. The usage of the service is free of cost. No warranty is given for the correctness of the results.
Uploaded data is immediately deleted if the button NEW is used. Otherwise the data will remain until the nightly, automatic cleanup.


Scientific leadership Prof. Dr. Stefan Grimme Mulliken Center, University of Bonn, Germany info email
Project Partners Dr. Lars Goerigk School of Chemistry, University of Melbourne, Australia info email
Dr. Holger Kruse CEITEC, Masaryk University Brno, Czech Republic info email
Website: Dr. Holger Kruse