Chaneui Park

2 Questions 2 Answers 0 Followers

Questions related from Chaneui Park

How to efficiently optimize large molecules using Gaussian?

Hi guys, I am trying to optimize two semiconducting CNT molecules by using Gaussian 16. My goal is to calculate interaction energy of the two CNTs. The total number of atoms in the system is ~...

11 June 2020 9,388 25 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...

08 November 2018 8,540 5 View