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- W2022506753 abstract "Redox-dependent hydrogen bonding has been a subject of extensive attraction since it provides a basis for external control for synthetic supramolecular system such as sensors, molecular electronics, and molecular machines. We performed density functional theoretical calculations on the nitrobenzene/arylurea interactions in order to understand the bonding and its dependence on the reduction/oxidation. We calculated the binding energy in the reduced and oxidized states and correlated the energy differences with the shift in half-wave potential, ΔE1/2, for different p-substituted nitrobenzene/diphenylurea pairs." @default.
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- W2022506753 date "2006-12-01" @default.
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- W2022506753 title "Density Functional Theoretical Studies on the Redox-dependent Hydrogen Bonding" @default.
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- W2022506753 doi "https://doi.org/10.1246/cl.2006.1362" @default.
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