Marko Hanževački

2 Questions 12 Answers 0 Followers

Questions related from Marko Hanževački

Can anyone help me remove or add "Empiricaldispersion=gd3"; Gaussian09?

Well, I wanted to know are there ways to add and remove gd3 empirical dispersion when using ONIOM layers. For example, I'm using 2-layered system, and I use B3LYP functional for my high layer, and...

07 July 2014 4,865 5 View

Can anyone tell me where I can find input for basis set for iodine atom, I need 6-31G(d,p) format code for Gaussian09?

Iodine 6-31G(d,p)

12 December 2013 5,091 12 View