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pubmed-article:16602774pubmed:abstractTextWe have applied density functional theory to characterize the bimetallic-bridging intermediate in the reduction of NO to N2O by heme-copper oxidoreductases. The present study provides information of the electronic and vibrational structure of the putative intermediate, and thus, it forms the basis for a quantitative accurate atomic-level description of the key steps in the N-N bond formation and the N-O bond cleavage mechanism.lld:pubmed
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pubmed-article:16602774pubmed:articleTitleCharacterization of a bimetallic-bridging intermediate in the reduction of NO to N2O: a density functional theory study.lld:pubmed
pubmed-article:16602774pubmed:affiliationOkazaki Institute for Integrative Bioscience, National Institutes of Natural Sciences, Okazaki, Aichi 444-8787, Japan.lld:pubmed
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