Hydrogen bonds at metal surfaces: Universal scaling and quantification of substrate effects |
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| Authors: | G Jones DA King |
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| Institution: | Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK |
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| Abstract: | Simple bio-molecules demonstrate a propensity to form hydrogen-bonded networks. Here, individual hydrogen-bond energies are determined through topological analysis of the theoretical electron density for a variety of systems, demonstrating the existence of a universal relationship between hydrogen-bond length and strength. Comparison of local hydrogen-bond strength to global stabilisation allows the quantification of contributions to intermolecular interactions within surface overlayers in unprecedented detail. |
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| Keywords: | Density functional calculations Single crystal surfaces Biological molecules Palladium Copper Hydrogen bonding |
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