1982
DOI: 10.1139/v82-501
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Simulation of isotropic electron spin resonance spectra: a transportable basic program

Abstract: A computer program written in BASIC is presented for the simulation of isotropic esr spectra using a microprocessor. Since BASIC is the most common microprocessor language, this program can easily be adapted to most microprocessors. Through the use of more efficient methods the capabilities of much larger FORTRAN programs, run on mainframe computers, are retained in the more restricted environment of the microprocessor. As a result, most spin trapping results can be dealt with easily. A number of sample simula… Show more

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Cited by 69 publications
(10 citation statements)
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“…Spectral simulations were carried out using a computer program. 29 Superoxide anions were produce from potassium peroxide in DMSO (0.5 mM KO 2 was dissolved in DMSO in the presence of 5 mM 18-C-6). The nitro compound was then added and the temperature was immediately lowered to 77 K. The ESR spectra were immediately recorded.…”
Section: Resultsmentioning
confidence: 99%
“…Spectral simulations were carried out using a computer program. 29 Superoxide anions were produce from potassium peroxide in DMSO (0.5 mM KO 2 was dissolved in DMSO in the presence of 5 mM 18-C-6). The nitro compound was then added and the temperature was immediately lowered to 77 K. The ESR spectra were immediately recorded.…”
Section: Resultsmentioning
confidence: 99%
“…The radicals were generated by hydrogen atom abstraction from the corresponding toluene or by bromine atom abstraction from the corresponding benzylic bromide. The hfc's were estimated by initial measurement of the line positions from the signal averager and refined by computer simulation (8).…”
Section: Resultsmentioning
confidence: 99%
“…Hyperfine splitting constants were derived from spectral measurements based on spectrometer-calibrated field markers periodically checked with Fremy's salt. Computer simulations were performed using a slightly improved program written by Dr. U. M. Oehler (39).…”
Section: Methodsmentioning
confidence: 99%