**Appendix**

### *Program ODF3*

The program ODF3 is elaborated for simulation of the EPR spectra and determination of the spectra parameters by the fitting procedure. The program is a working tool used in our laboratory to test different models, approaches, and algorithms of spectrum simulation. Thus, it is not a finished software product, and it is not optimized by efficiency. Nevertheless, we believe that the program can be useful to reproduce the presented results or treat similar spectral data.

The program is written using Fortran, but as different subprograms were created by different programmers, in different times, and with different aims, the project as a whole does not meet any language standard. Of course, this circumstance produces troubles at compilation and debugging of the program. The program is presented free for any use with the only conditions that the authors are not responsible for any consequences and insist on citation of the source if the results obtained using the program are published.

The program can be loaded from the site http://www.chem.msu.ru/eng/lab/chemkin/ODF3/ The program allows taking into account the following:


The EPR spectra are computed in accordance with explicit formulas presented in [81]. Two types of spectrum calculation can be performed. Both types of calculation use the Hamiltonian within the perturbation theory of the second order. The first type of calculation assumes the coincidence of g-tensor frame with hfi-tensor frame. The second type of calculation takes into account any tilt of hfi-tensors relative to g-axes and forbidden transitions.

The formats for the input-output files are described in the document ODF3.pdf that can be loaded from the same site with the examples of the program applications.

### *Program esrD*

The purpose of the program esrD is the treatment of experimental EPR spectra and preparation of spectra to the fitting procedure. This preparation ordinarily involves removal of the unnecessary tails, subtraction of the base line or base spectrum, double integration, normalizing of area under the spectrum, etc. All these procedures can be carried out using the standard software. On the other hand, when the spectra were recorded in different and possibly irregular points of the magnetic field, the mentioned operations were rather time-consuming. The program esrD allows carrying out necessary operations with the set of such spectra at once. It is useful as well for visual comparison of experimental and calculated spectra.

The program is presented free for any use with only the conditions that the authors are not responsible for any consequences and insist on the citation of the source if the results obtained using the program are published. The program can be loaded from the site http://www.chem.msu.ru/rus/lab/chemkin/esrD/.
