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. …
Category Archive: examples
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 …
Apr 28
Ultrafast COSY
Feb 07