peneteration
Clicked A Few Times
7:31:18 AM PDT - Sun, Aug 24th 2014
Dear All

We try to simulate some molecules adsorption on the oxide surfaces. In the our simulations, some of molecules penetrate inside the oxide bulk. Changing the distance of surface to these molecules in some simulations, cause them to do not penetrate. Hereby I would like to help us to overcome this problem.


Forum >> NWChem's corner >> Running NWChem