Article ID Journal Published Year Pages File Type
5391715 Chemical Physics Letters 2007 6 Pages PDF
Abstract
A formation mechanism of the second H2O molecule in fully reduced cytochrome c oxidase is examined based on the theoretical study of the unrestricted hybrid exchange-correlation functional B3LYP method. The H2O molecule coordinating to the Cu atom is a key molecule for the H2O formation.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
A B3LYP study on the mechanism of second H2O formation in a fully reduced cytochrome c oxidase
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