Jan 19

SpinDynamica used for parahydrogen simulations

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.


Dynamics of spin-3/2 state populations under a cosine-modulated rf pulse

Dynamics of spin-3/2 state populations under a cosine-modulated rf pulse

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. 133Cs

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.TwoSiteExchangeAB

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 Fileufcosy.nb

COSY spectrum in a single scan

COSY spectrum in a single scan

Mar 17

Visualization of Euler Angles

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

Feb 07

Composite Pulse Animation

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


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

Jul 24

Preparing Long-lived singlet order

DeVience, Walsworth and Rosen have used SpinDynamica to develop a new method for generating long-lived nuclear singlet order, and to plot the trajectories of the spin operators during the pulse sequence. See http://arxiv.org/abs/1307.0832Screen Shot 2013-07-24 at 23.24.30

Apr 22

Overtone 14N NMR

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

Mar 28

Simultaneous precession and relaxation of a magnetization vector



Download the code here: RelaxationAndPrecession.nb

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