National Biomedical Electron Paramagnetic Resonance Center

National Biomedical Electron Paramagnetic Resonance Center

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User Groups


Discussion and Dissemination of Finite-Element Modeling

A Web site has been created, fem.eprbiomed.org, to allow for in-depth discussions and commmunity training on electromagnetic modeling techniques. Using wiki and bulletin board technology, this user group aims to lessen the learning curve associated with commercial finite-element programs while allowing for technical discussions and exchange of ideas on resonator development (contact: Jason Sidabras at eprbiomed.org/contact).

Discussion and Dissemination of EPR Spectra Simulation

A Web site has been created, spectra.eprbiomed.org, to allow for in-depth discussions and commmunity training on EPR spectra simulation techniques. Using wiki and bulletin board technology, this user group provides support for anyone with questions about EPR spectra and how to simulate them (contact: Jason Sidabras at eprbiomed.org/contact).

SPECTRAL SIMULATION has been an important and new direction in service for the EPR Center. Our simulation service has been based on the program XSophe, developed by Graeme Hanson and colleagues and marketed by Bruker Biospin. It is a general program that makes no assumptions regarding the spin system. It is particularly useful for the simulation of powder spectra and treats S > 1/2 system and spin-coupled systems, including clusters, explicitly. Strains in g, A, and D are included as linewidth models. The metal-ion EPR community is the dominant user group for the service. The advantages of XSophe are manifold: it is user friendly, spin coupling and zero-field splitting (ZFS) parameters are entered using familiar terms, multiple isotopes can be treated simultaneously, and calculations can be sped up by treating superhyperfine coupling by perturbation at the user's discretion.

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Page Updated 01/20/2012