Analysis and Simulation Software Package |
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EWSIM for DOS
EWSim creates rigorously accurate simulations of electron
paramagnetic spectra based on algorithms derived from the Bloch equations.
- EWSim is designed specifically for simulation of organic anion radicals in solution,
in the absence of anisotropy effects (though useful simulations of half spectra can usually
be done if anisotropy is present)
- Individual spectra can be added (with centers g shifted if necessary) or superimposed
for quantitative analysis of mixtures.
- EWSim handles all spin quantum numbers, and any number of spectral lines a reasonable
anion radical is likely to generate.
- EWSim handles exchange between two different radicals.
Very rapid "low resolution" trial simulations can be made until trial parameters
obviously approach "reality" - then higher resolution simulations, capable of being
compared with a spectrum obtained from EWWIN, can be made at proportionally slower speeds.
EWSim has been exhaustively tested to maximize the ease in which individual parameters
(for example, coupling constants) can be modified. Great care and attention has been given
to the user interface so that EWSim is highly functional.
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