Search found 2 matches

by camgran
Tue Aug 15, 2023 8:14 am
Forum: General forum
Topic: Trouble Simulating Broadened Features
Replies: 3
Views: 3625

Re: Trouble Simulating Broadened Features

Hi imasen,

Thanks so much for your reply. I think this is helping me find the right path.

Cheers

by camgran
Mon Aug 14, 2023 1:41 pm
Forum: General forum
Topic: Trouble Simulating Broadened Features
Replies: 3
Views: 3625

Trouble Simulating Broadened Features

Hello, I am working on a S =1/2 system for a DPPZ ligand that is chelated to a tungsten metal. I have electrochemically reduced the complex by one electron so that the spin density is on the pyrazinyl nitrogen. For this system, I do not anticipate any spin density to be localized on the metal. Below...