Search found 186 matches
- Tue Oct 25, 2022 2:43 am
- Forum: General forum
- Topic: J couplings from fluid-solution EPR spectra
- Replies: 8
- Views: 5267
Re: J couplings from fluid-solution EPR spectra
- Thu Oct 20, 2022 10:18 pm
- Forum: General forum
- Topic: J couplings from fluid-solution EPR spectra
- Replies: 8
- Views: 5267
Re: J couplings from fluid-solution EPR spectra
- Thu Oct 20, 2022 4:46 am
- Forum: General forum
- Topic: J couplings from fluid-solution EPR spectra
- Replies: 8
- Views: 5267
Re: J couplings from fluid-solution EPR spectra
The pepper()
function allows to simulate the spectra of biradicals.
- Wed Aug 24, 2022 5:21 am
- Forum: Bugs
- Topic: eprload function with Magnettech
- Replies: 8
- Views: 19043
Re: eprload function with Magnettech
Probably, the filename must contain the extension (.xml for Magnettech). Your scripts does not contain ir.
- Mon May 30, 2022 3:59 am
- Forum: General forum
- Topic: How to include J/ee between two systems
- Replies: 4
- Views: 3521
Re: How to include J/ee between two systems
It should be noted that the hyperfine splitting may not be correst treated in 'hybrid' mode. See the issue viewtopic.php?f=4&t=569
- Wed Apr 06, 2022 12:12 am
- Forum: General forum
- Topic: Simulating solution Mn(II) spectra - Garlic or Chili?
- Replies: 2
- Views: 2735
Re: Simulating solution Mn(II) spectra - Garlic or Chili?
The best way is using garlic()
for preliminary calculations and then chili()
for confirmation either refinement.
- Fri Feb 18, 2022 4:18 am
- Forum: General forum
- Topic: levelsplot with two site?
- Replies: 3
- Views: 3041
Re: levelsplot with two site?
I'm afraid I don't completely understand what You want to see. Can you write a simple scripts for each diagram of each site?
- Thu Feb 17, 2022 5:03 am
- Forum: General forum
- Topic: levelsplot with two site?
- Replies: 3
- Views: 3041
Re: levelsplot with two site?
- Sat Jan 08, 2022 10:52 am
- Forum: General forum
- Topic: Questions for EPR fitting of multiple radicals
- Replies: 1
- Views: 1713
Re: Questions for EPR fitting of multiple radicals
Use garlic()
instead of chili()
.
- Fri Jan 07, 2022 11:26 am
- Forum: General forum
- Topic: Error when adding Sys.Q to HYSCORE simulation
- Replies: 6
- Views: 2621
Re: Error when adding Sys.Q to HYSCORE simulation
Probably, Sys.Abund
should be additionally defined if the definition '(135,137)Ba'
is used.