Morad Ebrahimkhas

2 Questions 3 Answers 0 Followers

Questions related from Morad Ebrahimkhas

How we can Simulate reaction crystal violet dye on ZSM-5 with Gaussian 09?

Hi there I want to study interaction of CV dye with main pore of zeolite (ZSM-5), but the structure and radius of CV is large, so I don't know how can I do this. I think I have two choices , 1-...

06 December 2018 3,164 2 View

How can simulate large molecules such as zeolite (ZSM-5) with Gaussian?

If I used 194 atoms (Al-Si-O) for simulation of the large molecules the Gaussian did not converge. I want to know whole atoms are needed in simulation?

18 November 2018 1,602 6 View