Seulwoo Kim

2 Questions 1 Answers 0 Followers

Questions related from Seulwoo Kim

How can I plot relaxed potential energy surface from Gaussian 16 result?

Hi all. I'm trying to calculate a relaxed potential energy surface using Gaussian 16 software. However, since I cannot approach the PC installed Gaussview for a while, I need different software to...

03 February 2022 4,364 3 View

How can I fit atomic partial charge set on both ESP and permanent molecular dipole moment?

Hi all. I'm trying to fit partial charge set for new molecules with the methods used in the following papers. (J. Phys. Chem. B 2009, 113, and 11463–11478, Polarizable and Nonpolarizable Force...

25 January 2022 8,131 1 View