Knowledge Bank

“Application are presented of a computer program which prepares and plots theoretical electron spin resonance spectra having a maximum of 4096 lines. Spectral lines are assumed to have a Lorentzian shape with a specified line width in gauss. Proton hyperfine splittings computed from spin densities obtained with simple molecular orbital theory or the valence bond method are used to construct and plot the E.S.R spectra for $naphthalene(-)$, $anthracene(-)$, perinaphthene, and other aromatic ions and radicals.”