In a recently accepted JACS paper, Russ Bowers and co-workers investigate parahydrogen reactions on nanoparticles, using 6-spin-1/2 SpinDynamica simulations. See:

Jan 16

## Spin-3/2 spin dynamics

This example file illustrates the spin dynamics of a spin-3/2 system in the presence of weak and strong rf fields. Selective manipulations of the central and satellite transitions are illustrated, including the use of cosine-modulated fields to excite the satellite transitions. Download here: SpinThreeHalfDynamics or here.

Sep 19

## Spectrum of 133Cs in an inhomogeneous gel

The routine EnsembleAverage may be used to generate arbitrary distributions of nuclear spin interactions. In an example posted on the forum, I used EnsembleAverage to generate the spectrum of 133Cs (I=7/2) in an inhomogeneous gel. The same notebook includes a simulation of quadrupolar echoes in spin-7/2 with curious fractional timings.

Sep 19

## Simulating chemical exchange in an AB spin system

At the present time, the case of spin systems experiencing chemical exchange cannot be handled entirely within the architecture of SpinDynamica. However, it is possible to build upon SpinDynamica to handle chemical exchange. I have posted an example file on the forum showing how to simulate an AB spin system of two spins-1/2 experiencing chemical exchange between inequivalent sites. The resulting lineshapes can be non-intuitive.

Apr 28

## Ultrafast COSY

**A SpinDynamica demonstration of single-scan 2D spectroscopy using a spatial encoding of the spin interaction.**

Routines used: Signal1D, EnsembleAverage, ShapeFunction

*Programmed by Dr. Jean-Nicolas Dumez*

* Attached File* : ufcosy.nb

Mar 17

## Visualization of Euler Angles

SpinDynamica code for the interactive visualization of Euler angles is available here: EulerVisualization

Feb 07

## Composite Pulse Animation

A notebook for producing 3D animations of composite pulses is available here:

https://www.dropbox.com/s/yam19kdjo8qtwva/CompositePulseAnimation.nb

The plot shown is a single frame from one such animation.

Apr 22

## Overtone 14N NMR

Andreas Brinkmann has used SpinDynamica to simulate 14N overtone NMR. See http://dx.doi.org/10.1063/1.4775592