Search found 3 matches
- Sat May 18, 2024 7:42 am
- Forum: General forum
- Topic: Simulation of EPR spectra of Mo(V)-radical system.
- Replies: 0
- Views: 5
Simulation of EPR spectra of Mo(V)-radical system.
Dear EasySpin Community, I am new to the simulation of EPR spectra using EasySpin. While I have understood the basics of simulation and fitting, I am facing challenges with fitting the EPR spectra of metal-radical complexes. Specifically, I encounter difficulties due to limited resources for measuri...
- Mon Apr 15, 2024 3:40 am
- Forum: General forum
- Topic: Assistance Required in Defining Spin for a Metal Radical System in Easyspin
- Replies: 3
- Views: 496
Re: Assistance Required in Defining Spin for a Metal Radical System in Easyspin
Thank you for your suggestion. But I am getting some errors. I am not able to figure them out. The input file is: clear,clc,clf [B,spc] = textread('fe_epr.txt','%f %f'); plot(B,spc) Sys.g = [2.0791 2.0663 2.0075; 2.0023 2.0023 2.0023] Sys.S = [2 1/2]; Sys.Nucs = 'Fe,14N, 14N'; Sys.n = [1 1 1]; Sys.J...
- Wed Apr 10, 2024 11:00 am
- Forum: General forum
- Topic: Assistance Required in Defining Spin for a Metal Radical System in Easyspin
- Replies: 3
- Views: 496
Assistance Required in Defining Spin for a Metal Radical System in Easyspin
Hi everyone, I am new to using the EPR simulation tool Easyspin and have recently grasped the basic aspects of simulation using this tool. However, I am encountering a bit of confusion regarding how to define the spin for a complex system. To elaborate, I am working with a complex that includes a V(...