Zohre Hasanzade

3 Questions 3 Answers 0 Followers

Questions related from Zohre Hasanzade

Why GaussView can not give the HOMO and LUMO energies?

I optimized the complexes with pbc calculation by gaussian program and now I want to extract the HOMO and LUMO energies. but the GaussView can not give these values. Can you help me? Thanks

04 April 2017 6,267 10 View

What is equation for counterpoise correction?

Can anybody give me equation where I can calculate this correction?

04 April 2017 1,717 3 View

What does it mean?

what does it mean? running at least two replica simulations per system, to ensure reproducibility of your results.

07 July 2016 8,366 3 View