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Computer Assisted Electron Spin Resonance Spectral Analysis Of Trapped Radicals, Philip Mook Wah Law
Computer Assisted Electron Spin Resonance Spectral Analysis Of Trapped Radicals, Philip Mook Wah Law
Loma Linda University Electronic Theses, Dissertations & Projects
A set of general purpose FORTRAN IV programs have been written during this study to assist in the analysis of complex spectra. An interactive approach is adopted, utilizing the computer and graphics terminals of the Scientific Computation Facility at Loma Linda University. Some procedures carried out are inversion, coordinates scaling, smoothing, differentiation and integration, correction for slanting baseline, addition and subtraction, and spectral simulation.
As an application, the programs are used to assist in the study of free radicals in gamma-irradiated single crystals of 1,2,3,- benzene tricarboxylic acid dihydrate by electron spin resonance spectroscopy. Is is found that the predominant …