chemical shift anisotropy

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vas2201
Posts: 2
Joined: Sat Aug 14, 2021 4:34 am

chemical shift anisotropy

Post by vas2201 »

Is there any script to simulate the chemical shift anisotropy and visualize the molecule with CSA ?.
Thanks for your Help.
Regards
Vas
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kuprov
Posts: 201
Joined: Mon Mar 29, 2021 4:26 pm

Re: chemical shift anisotropy

Post by kuprov »

Of course there is. See simulations in /examples/nmr_solids and visualisations in /examples/visualisation directories. Further info here:

https://spindynamics.org/wiki/index.php ... teractions
https://spindynamics.org/wiki/index.php ... _display.m
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