Theoretical Study of Intermediates in th
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Kalju Kahn
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Article
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1999
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Elsevier Science
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English
β 215 KB
The energetics of the urate oxidase reaction has been studied employing HF, MP2, and DFT calculations. Gas-phase energies of possible urate oxidase reaction intermediates were calculated; radical species and dehydrourate had high relative energies while 5-hydroperoxyisourate was stable in the gas ph