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- W2058493073 abstract "Abstract The electronic characteristics of some hydrogen donor substrate (phenol and aniline derivatives) for peroxidase reaction were calculated with the aid of the CNDO/2 and other methods. These results were compared with the experimental data concerning the rate of oxidation of these compounds by peroxidase and hydrogen peroxide. No simple relationship between the total or frontier electron densities on the oxygen or nitrogen atoms, or the lowest unoccupied orbital energies, and the rate of oxidation was found. It was, however, found that the logarithm of the rate of oxidation for the compounds studied correlates linearly with the highest occupied orbital energies. Based on these results, the mechanism of electron transfer from the substrate to compound II is discussed." @default.
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- W2058493073 date "1983-01-01" @default.
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- W2058493073 title "A molecular orbital study on the oxidation of hydrogen donor molecules by peroxidase compound II" @default.
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- W2058493073 doi "https://doi.org/10.1016/0022-5193(83)90352-1" @default.
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