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https://hdl.handle.net/20.500.14279/1171| Τίτλος: | Characterization of a bimetallic-bridging intermediate in the reduction of NO to N 2O: a density functional theory study | Συγγραφείς: | Ohta, Takehiro Kitagawa, Teizo Varotsis, Constantinos |
metadata.dc.contributor.other: | Βαρώτσης, Κωνσταντίνος | Major Field of Science: | Engineering and Technology | Λέξεις-κλειδιά: | Copper;Chemistry;Iron;Nitric oxide;Nitrous oxide;Oxidation-reduction reaction;Oxidoreductases | Ημερομηνία Έκδοσης: | 14-Μαρ-2006 | Πηγή: | Inorganic chemistry, 2006, vol. 45, no. 8, pp. 3187-3190 | Volume: | 45 | Issue: | 8 | Start page: | 3187 | End page: | 3190 | Περιοδικό: | Inorganic Chemistry | Περίληψη: | We have applied density functional theory to characterize the bimetallic-bridging intermediate in the reduction of NO to N 2O 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 | URI: | https://hdl.handle.net/20.500.14279/1171 | ISSN: | 201669 | DOI: | 10.1021/ic050991n | Rights: | © American Chemical Society | Type: | Article | Affiliation: | University of Crete | Affiliation: | University of Crete | Publication Type: | Peer Reviewed |
| Εμφανίζεται στις συλλογές: | Άρθρα/Articles |
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