In a recently accepted JACS paper, Russ Bowers and co-workers investigate parahydrogen reactions on nanoparticles, using 6-spin-1/2 SpinDynamica simulations. See: http://pubs.acs.org/doi/abs/10.1021/ja511476n

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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.  

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SpinDynamica v2.11.1 has been released. See downloads. This release contains significant new features such as ProductKet, ProductBra and ProductBasis, and also important new functionality for Signal1D. Major speed improvements have been obtained for some calculations.  

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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.

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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 …

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