Aug 15

SpinDynamica version 3.6.0 is here!

The new release includes the Ovaloid routine for representing interaction tensors, and further bug fixes.

Here is a squarate molecule with the ovaloid representation of chemical shielding tensors superimposed on the associated atoms.

Get an example notebook here.

Go to Downloads… and enjoy.

 

 

 

 

 

 

Sep 10

#SpinDynamica

#SpinDynamica is now on Twitter!

Thanks to Laurynas Dagys and Mohamed Sabba.

Jun 16

SpinDynamica video tutorials

ANZMAG (The Australia-New Zealand Magnetic Resonance society) recorded a series of videos on SpinDynamica by Malcolm Levitt. They have kindly made these available on YouTube.

Aug 21

SpinDynamica administration

Welcome to Christian Bengs who has taken over administration over this site.

Christian has already done a lot of excellent coding as part of our new release of SpinDynamica (v3.0.1) and our first SpinDynamica publication. It’s great to have his help!

So many thanks to Christian, and enjoy the new version of SpinDynamica!

Malcolm

Aug 21

First publication on SpinDynamica

Our first article on SpinDynamica has just been accepted for publication: DOI 10.1002/mrc.4642

Thanks to Christian Bengs for helping write this article!

Please cite this article if you published results obtained with SpinDynamica!

Jul 28

2D spectra

The attached code may be used for simple 2D simulations using SpinDynamica. It is not completely general but should do for many purposes. More general code will be included in SpinDynamica in future.

This example has also been posted on the forum, where you may also post responses. Simple2Dspectra

 

 

 

 

 

 

 

 

 

 

 

executable notebook here: Simple2Dspectra

 

Jul 26

LLS relaxation in CH2D groups

SpinDynamica is used to treat the relaxation of long-lived singlet order in monodeuterated methyl groups and uses an effective CH2D geometry to explain experimentally observed results. Download the paper and the SpinDynamica notebook.

Mar 18

PolarizationOperator

The new symbol PolarizationOperator may be used to calculate the polarization level of a spin ensemble and has been posted as an Add-On: http://www.spindynamica.soton.ac.uk/polarizationoperator/

Mar 10

SymmetryBasedRecouplingAnalysis

On request, the popular Mathematica code CandRsymmetries has been resurrected as a new SpinDynamica add-on called SymmetryBasedRecouplingAnalysis. It may be found under AddOns or here.

Feb 05

SpinDynamica on Wolfram Blog

CompositePulseAnimationFrameQ & A with Malcolm Levitt on Wolfram Blog: here

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