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User-defined Hamiltonian algorithm for "curry"

Last post by christiansen « Tue Jan 30, 2024 9:05 am
Replies: 1
by christiansen » Sun Jan 28, 2024 3:23 am

1 Replies

5869 Views

Last post by christiansen
Tue Jan 30, 2024 9:05 am
Meaning of 'coupled' initState for triplet-pair

Last post by Matt Krzyaniak « Sat Jan 27, 2024 10:16 pm
Replies: 1
by micollins » Fri Jan 26, 2024 4:35 am

1 Replies

6980 Views

Last post by Matt Krzyaniak
Sat Jan 27, 2024 10:16 pm
Heisenberg Exchange in the case of rigid limit and chaotic orientation of neighboring radicals

Last post by katarkon « Thu Jan 18, 2024 6:39 am
Replies: 1
by trukhan » Fri Jan 12, 2024 2:39 am

1 Replies

5944 Views

Last post by katarkon
Thu Jan 18, 2024 6:39 am
Syntax for esfit for multi-component systems in 6.0.0-dev.53

Last post by trukhan « Fri Jan 12, 2024 2:23 am
Replies: 1
by bmozgawa » Thu Jan 11, 2024 11:33 am

1 Replies

5174 Views

Last post by trukhan
Fri Jan 12, 2024 2:23 am
esfit error in timecorrelation fitting

Last post by DanielKlose « Thu Dec 14, 2023 9:33 am
Replies: 1
by hrishik » Wed Dec 13, 2023 3:03 pm

1 Replies

12490 Views

Last post by DanielKlose
Thu Dec 14, 2023 9:33 am
Alternative to matlab

Last post by thanasis « Wed Dec 13, 2023 9:46 am
Replies: 3
by Jamal » Tue Dec 12, 2023 5:11 am

3 Replies

14152 Views

Last post by thanasis
Wed Dec 13, 2023 9:46 am
How to simulate shoulder of peak.

Last post by imasen « Mon Dec 11, 2023 11:19 pm
Replies: 1
by Kob@yashi » Mon Dec 11, 2023 10:38 pm

1 Replies

8775 Views

Last post by imasen
Mon Dec 11, 2023 11:19 pm
Simulation from ORCA calculation

Last post by jmguevarav « Sat Dec 09, 2023 2:49 am
Replies: 2
by jmguevarav » Fri Dec 08, 2023 1:23 pm

2 Replies

16627 Views

Last post by jmguevarav
Sat Dec 09, 2023 2:49 am
Seeking suggestions to fit EPR spectrum of a Fe(III) complex having both high-spin and low-spin components

Last post by christiansen « Wed Nov 22, 2023 9:05 am
Replies: 3
by smandal » Mon Nov 20, 2023 8:32 pm

3 Replies

10422 Views

Last post by christiansen
Wed Nov 22, 2023 9:05 am
Different Line Width for Different Transitions?

Last post by katarkon « Tue Nov 07, 2023 1:28 am
Replies: 6
by christiansen » Wed Oct 25, 2023 1:28 am

6 Replies

17027 Views

Last post by katarkon
Tue Nov 07, 2023 1:28 am
Simulating isotropic biradical spectra

Last post by katarkon « Tue Oct 17, 2023 11:03 pm
Replies: 2
by katarkon » Tue Oct 17, 2023 2:41 am

2 Replies

11913 Views

Last post by katarkon
Tue Oct 17, 2023 11:03 pm
Difficulty with goodness of fitting spectral features for multicomponent slow-motion spectra

Last post by fawce047 « Mon Oct 09, 2023 1:06 pm

by fawce047 » Mon Oct 09, 2023 1:06 pm

0 Replies

29177 Views

Last post by fawce047
Mon Oct 09, 2023 1:06 pm
How to Simulate a Mixed-Spin State of HS and IS with Quantum Admixture?

Last post by christiansen « Wed Sep 13, 2023 1:30 am
Replies: 4
by bracci47 » Mon Sep 04, 2023 6:58 pm

4 Replies

12489 Views

Last post by christiansen
Wed Sep 13, 2023 1:30 am
Running Easyspin with a user-defined Hamiltonian

Last post by christiansen « Wed Sep 13, 2023 1:24 am
Replies: 2
by christiansen » Tue May 30, 2023 1:39 am

2 Replies

14305 Views

Last post by christiansen
Wed Sep 13, 2023 1:24 am
Calculating Transition Energies

Last post by katarkon « Wed Sep 06, 2023 2:30 am
Replies: 6
by f_hwc » Wed Aug 09, 2023 9:32 am

6 Replies

19174 Views

Last post by katarkon
Wed Sep 06, 2023 2:30 am
Simulating CW saturation spectra for T1 and T2

Last post by thanasis « Sun Sep 03, 2023 3:07 am
Replies: 2
by mattwood » Thu May 11, 2023 5:42 am

2 Replies

14229 Views

Last post by thanasis
Sun Sep 03, 2023 3:07 am
Curry / fitting magnetic data

Last post by Stefan Stoll « Sun Sep 03, 2023 12:26 am
Replies: 1
by radovanh » Tue Jun 06, 2023 1:19 am

1 Replies

17702 Views

Last post by Stefan Stoll
Sun Sep 03, 2023 12:26 am
Some problems in simulating single crystal rotation pattern

Last post by Stefan Stoll « Sun Sep 03, 2023 12:24 am
Replies: 8
by Q yang. » Mon Sep 19, 2022 1:51 am

8 Replies

20302 Views

Last post by Stefan Stoll
Sun Sep 03, 2023 12:24 am
How to simulate Rhombograms in this literature

Last post by Stefan Stoll « Sun Sep 03, 2023 12:22 am
Replies: 2
by lulunulibiye » Tue Jul 18, 2023 7:46 am

2 Replies

11939 Views

Last post by Stefan Stoll
Sun Sep 03, 2023 12:22 am
The meaning of the two lines of command

Last post by Stefan Stoll « Sun Sep 03, 2023 12:04 am
Replies: 1
by lulunulibiye » Tue Jul 18, 2023 8:31 pm

1 Replies

10291 Views

Last post by Stefan Stoll
Sun Sep 03, 2023 12:04 am
Two-component EDNMR simulations

Last post by Stefan Stoll « Sat Sep 02, 2023 11:58 pm
Replies: 1
by yurilee » Tue Jul 11, 2023 2:41 am

1 Replies

8896 Views

Last post by Stefan Stoll
Sat Sep 02, 2023 11:58 pm
Simulations using perturbation theory are very different from spectrogram simulations using matrix diagonalization

Last post by Stefan Stoll « Sat Sep 02, 2023 11:57 pm
Replies: 1
by lulunulibiye » Wed Jul 19, 2023 2:56 am

1 Replies

8599 Views

Last post by Stefan Stoll
Sat Sep 02, 2023 11:57 pm
fitting overmodulated spectra

Last post by Stefan Stoll « Sat Sep 02, 2023 11:46 pm
Replies: 1
by jeszczerazja » Thu Jun 01, 2023 12:31 pm

1 Replies

10965 Views

Last post by Stefan Stoll
Sat Sep 02, 2023 11:46 pm
How to define inequivalent nuclei

Last post by Stefan Stoll « Sat Sep 02, 2023 11:37 pm
Replies: 3
by joematt » Wed Jun 07, 2023 8:46 pm

3 Replies

9213 Views

Last post by Stefan Stoll
Sat Sep 02, 2023 11:37 pm
Urgent: Matching simulation with experimental data OH Radicals DMPO

Last post by Stefan Stoll « Sat Sep 02, 2023 11:34 pm
Replies: 1
by dbg0899 » Wed Jul 26, 2023 1:43 pm

1 Replies

5566 Views

Last post by Stefan Stoll
Sat Sep 02, 2023 11:34 pm

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