|
|
|
|
|
|
|
|
|
|
The following software is available upon request. The code is written by using Matlab (MathWorks, Natick, MA) software, and runs on PC. Please contact Kurt Warncke if interested.
1. 2-Pulse and 3-pulse ESEEM simulation software, corresponding to electron (S=1/2) coupling to N nuclei of arbitrary nuclear spin (I).
2. Biradical EPR spectra simulation software, either using perturbation treatment (developed from Pilbrow's original code) or direct-diagonalization (written by Jeffrey M. Canfield).
3. In the near future, we will will offer a biradical orientation-selection ESEEM (and ENDOR) package.
The orientation-selection analysis is described in detail in: Canfield, J. M. and Warncke, K. 2002. "Geometry of Reactant Centers in the CoII-Substrate Radical Pair State of Coenzyme B12-Dependent Ethanolamine Deaminase Determined by using Orientation-Selection-ESEEM Spectroscopy". J. Phys. Chem. B 106, 8831-8841.