Diversity at the Water-Metal Interface: Metal, Water Thickness, and Confinement Effects.

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Please use this identifier to cite or link to this collection: doi:10.19061/iochem-bd-1-1

This dataset derived results are published in:

Manuscript title: Diversity at the Water–Metal Interface: Metal, Water Thickness, and Confinement Effects

Journal: ACS Cent. Sci.

DOI: 10.1021/acscentsci.5b00349

PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpegRu4c-vasp; 5.2.12; 11Nov11 complexAb-Initio Molecular Dynamics---2275.271562; eV
thumbnail.jpegRu8c-vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexAb-Initio Molecular Dynamics---3341.83738820; eV
thumbnail.jpegRu4-vasp; 5.2.12; 11Nov11 complexAb-Initio Molecular Dynamics---2262.346995; eV
thumbnail.jpegRu2-vasp; 5.2.12; 11Nov11 complexAb-Initio Molecular Dynamics---1731.773787; eV
thumbnail.jpegPt8c-vasp; 5.2.12; 11Nov11 complexAb-Initio Molecular Dynamics---2771.361800; eV
thumbnail.jpegPt4c-vasp; 5.2.12; 11Nov11 complexAb-Initio Molecular Dynamics---1705.636112; eV
thumbnail.jpegPt4-vasp; 5.2.12; 11Nov11 complexAb-Initio Molecular Dynamics---1699.682307; eV
thumbnail.jpegPt2-vasp; 5.2.12; 11Nov11 complexAb-Initio Molecular Dynamics---1169.198165; eV
thumbnail.jpegPd4c-vasp; 5.2.12; 11Nov11 complexAb-Initio Molecular Dynamics---1609.755411; eV
thumbnail.jpegPd8c-vasp; 5.2.12; 11Nov11 complexAb-Initio Molecular Dynamics---2674.717874; eV
thumbnail.jpegPd4-vasp; 5.2.12; 11Nov11 complexAb-Initio Molecular Dynamics---1604.358265; eV
thumbnail.jpegPd2-vasp; 5.2.12; 11Nov11 complexAb-Initio Molecular Dynamics---1072.241146; eV
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