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|
|Project Partners||Dr. Lars Goerigk||School of Chemistry, University of Melbourne, Australia||info|
|Dr. Holger Kruse||CEITEC, Masaryk University Brno, Czech Republic||info|
|Website:||Dr. Holger Kruse|