Hi
I want to do DFT calculations for interaction of ZnO nanocluster with silymarin molecule using GAUSSIAN 09 software. I want to create an input file using GaussView 5.0.8. ZnO nanolusters could be built using PBC in GaussView but I am not getting how to draw a structure where ZnO nanocluster is interacting with silymarin molecule so that I can do HOMU-LUMO calculations.
Could anyone please help me out with this??
Thanks in advance!