Hi All,
I would like to calculate ESP charges for some aromatic compounds. I know lots of people use Dmol3 for this purpose but we do not have the licence for it.
We do have licence for Gaussian, VAMP. Can I use those modules as well for ESP charge calculation, if yes can some one help me how to set up the job in order to get a resonable data.
Thank you in advance.
Timur.
