Search found 2 matches
- Fri May 15, 2015 8:09 am
- Forum: General forum
- Topic: Simulating Average Dipolar Coupling in Solution State
- Replies: 3
- Views: 3698
Re: Simulating Average Dipolar Coupling in Solution State
Correct, dipolar couplings are averaged out in solution. I guess the more accurate question is, how should I simulate the broadening observed in the spectra below? When I simulate with either "garlic" or "chili' the fit is very close, however, it does not seem to fit the broadening ve...
- Thu May 14, 2015 12:23 pm
- Forum: General forum
- Topic: Simulating Average Dipolar Coupling in Solution State
- Replies: 3
- Views: 3698
Simulating Average Dipolar Coupling in Solution State
Is there a way to simulate the average dipolar couplings between mono-radicals in solution state? For example, I would like to simulate the average dipolar couplings between 4-Hydroxy TEMPO mono-radicals in solution at room temperature for increasing concentrations (1.5 to 12 mM) of 4-Hydroxy TEMPO....