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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

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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 91
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Oct-2016Pt-voGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---806.55543351; eV
thumbnail.jpeg21-Oct-2016Pt-erGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---383.36192909; eV
thumbnail.jpeg21-Oct-2016Pt-fuGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---777.15325298; eV
thumbnail.jpeg21-Oct-2016Pt-gaGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---783.49689850; eV
thumbnail.jpeg21-Oct-2016Pt-idGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---783.38503191; eV
thumbnail.jpeg21-Oct-2016Pt-maGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---783.27964980; eV
thumbnail.jpeg21-Oct-2016Pd-soGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---690.16798437; eV
thumbnail.jpeg21-Oct-2016Pt-riGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---760.07014948; eV
thumbnail.jpeg21-Oct-2016Pd-thGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---342.01013034; eV
thumbnail.jpeg21-Oct-2016Pt-soGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---783.41338321; eV
thumbnail.jpeg21-Oct-2016Pd-maGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---689.99635632; eV
thumbnail.jpeg21-Oct-2016Pt-thGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---383.40003425; eV
thumbnail.jpeg21-Oct-2016Pt-arGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---760.18225377; eV
thumbnail.jpeg21-Oct-2016Pd-riGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---666.75404473; eV
thumbnail.jpeg21-Oct-2016Pd-fuGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---683.87000323; eV
thumbnail.jpeg21-Oct-2016Pd-erGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---341.91082741; eV
thumbnail.jpeg21-Oct-2016Pd-idGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---690.13311429; eV
thumbnail.jpeg21-Oct-2016Pd-gaGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---690.19844979; eV
thumbnail.jpeg21-Oct-2016Pd-xyGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---667.00417954; eV
thumbnail.jpeg21-Oct-2016Pd-arGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---666.84229473; eV
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 91
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