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ODFR is intended for simulation of slow-motional EPR spectra for spin-probes (especially nitroxide radicals) in partially oriented samples. The main purpose of the program is the simulation of EPR spectrum angular dependences. Both single- and multiprocessor versions are available.
The detailed description of all models and approximations used in the program is contained in the following reference:
A.Kh.Vorobiev, A.V.Bogdanov, T.S.Yankova, N.A.Chumakova, “Spin probe determination of molecular orientation distribution and rotational mobility in liquid crystals. Model-free approach.”, submitted to Phys. Chem. Chem. Phys., 2018.
Please, cite this reference whenever you intend to publish results obtained with the software ODFR.
ODFR was created in 2018 in Moscow State University by Prof. Andrey Kh. Vorobiev, mailto: a.kh.vorobiev[[at]]gmail.com
Features
- The program ODFR4 explicitly uses an orientation distribution of the local axial director in the sample frame. This distribution is described by expansion in a series of elements of Wigner D-matrix.
- High-frequency molecular reorientations described by quasi-libration model are incorporated.
- Additional angular-dependent hyperfine splitting can be considered. The quantum numbers for the additional nuclei are not included in the basis set for SLE simulation (e.g., super-hfs on protons or 13C-satellites)
