Collective Descriptors for the Adsorption of Sugar Alcohols on Pt and Pd(111)

Calculations contained in the article "Collective Descriptors for the Adsorption of Sugar Alcohols on Pt and Pd(111)". DOI 10.1021/jp502819s

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Please use this identifier to cite or link to this collection: doi:10.19061/iochem-bd-1-19

This dataset derived results are published in:

Manuscript title: Collective Descriptors for the Adsorption of Sugar Alcohols on Pt and Pd (111)

Journal: J. Phys. Chem. C

DOI: 10.1021/jp502819s

PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpegPt-voGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---806.55543351; eV
thumbnail.jpegPt-erGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---383.36192909; eV
thumbnail.jpegPt-fuGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---777.15325298; eV
thumbnail.jpegPt-gaGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---783.49689850; eV
thumbnail.jpegPt-idGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---783.38503191; eV
thumbnail.jpegPt-maGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---783.27964980; eV
thumbnail.jpegPd-soGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---690.16798437; eV
thumbnail.jpegPt-riGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---760.07014948; eV
thumbnail.jpegPd-thGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---342.01013034; eV
thumbnail.jpegPt-soGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---783.41338321; eV
thumbnail.jpegPd-maGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---689.99635632; eV
thumbnail.jpegPt-thGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---383.40003425; eV
thumbnail.jpegPt-arGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---760.18225377; eV
thumbnail.jpegPd-riGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---666.75404473; eV
thumbnail.jpegPd-fuGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---683.87000323; eV
thumbnail.jpegPd-erGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---341.91082741; eV
thumbnail.jpegPd-idGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---690.13311429; eV
thumbnail.jpegPd-gaGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---690.19844979; eV
thumbnail.jpegPd-xyGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---667.00417954; eV
thumbnail.jpegPd-arGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---666.84229473; eV
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