This webservice provides a simple way to calculate various gCP and DFT-D3 correction developed within the Grimme group.
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.
|Scientific leadership||Prof. Dr. Stefan Grimme||Mulliken Center, University of Bonn, Germany||info|
|Project Partners||Dr. Holger Kruse||Institute of Biophysics ASCR, Brno, Czech Republic||info|
|Dr. Lars Goerigk||School of Chemistry, University of Melbourne, Australia||info|
|Dr. Jan Gerit Brandenburg||Mulliken Center, University of Bonn, Germany||info|
|Website:||Dr. Holger Kruse||technical issue?|