The reaction mechanism of iron and manga
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LubomΓr RulΓΕ‘ek; Kasper P. Jensen; Kristoffer Lundgren; Ulf Ryde
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Article
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2006
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John Wiley and Sons
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English
β 340 KB
## Abstract We have studied the detailed reaction mechanism of iron and manganese superoxide dismutase with density functional calculations on realistic activeβsite models, with large basis sets and including solvation, zeroβpoint, and thermal effects. The results indicate that the conversion of O