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SPROM – an efficient program for NMR/MRI simulations of inter- and intra-molecular multiple quantum coherences
Affiliation:1. Departments of Physics and Communications Engineering, State Key Laboratory of Physical Chemistry of Solid Surface, Xiamen University, Xiamen 361005, China;2. Department of Radiology, University of Rochester, Rochester, NY 14642, USA
Abstract:A software package has been designed to simulate nuclear magnetic resonance spectra and images. Combining the product operator matrix with the non-linear Bloch equations, the software can efficiently simulate classical and quantum effects including scalar coupling, dipolar coupling, translational diffusion, chemical shift, radiation damping, transverse relaxation, and longitudinal relaxation. One of the most unique features of the software is its ability to incorporate effects of inter- and intra-molecular multiple quantum coherences in complex multiple-spin coupled systems, which are difficult with other existing software packages. The software, written in Visual C++, has a friendly graphical user interface and is easy to use. To cite this article: C. Cai et al., C. R. Physique 9 (2008).
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