Chaneui Park

3 Questions 3 Answers 0 Followers

Questions related from Chaneui Park

How to visualize HOMO, LUMO of two molecules by using Gaussian?

Hi guys, I used Gaussian W16 to geometry optimization of a two-same-molecule system. Then, I visualized HOMO and LUMO orbitals of the system with Gaussian View, but HOMO and LLUMO orbitals...

01 January 2020 5,135 1 View

How can I determine the charge state of an atom in crystal?

I doped little amount of silver atom to a crystal (< 1 mol%). And I would like to know the charge state of the doped silver atom in crystal. Is there any way to figure it out in experimental...

11 November 2018 3,643 6 View

Why does not Gaussian 09W show any progress in the middle of calculation?

Hi, My research group uses Gaussian 09W and we set up a new computing mechine for computational chemistry such as Gaussian and CASTEP. We succesfully installed Gaussian 09W on this new computer,...

10 October 2018 2,122 4 View