Shape control in concave metal nanoparticles by etching

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PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpegPt411_1HCl5Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---192.15698668; eV
thumbnail.jpegPt411_2HCl5Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---198.73799597; eV
thumbnail.jpegPt111_2HCl4Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---136.92068041; eV
thumbnail.jpegPt211_1HCl6Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---230.67053965; eV
thumbnail.jpegPt511_2HCl3Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---97.78335196; eV
thumbnail.jpegPt100_1HCl6Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---189.35878148; eV
thumbnail.jpegPt511_3HCl6Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---190.70750394; eV
thumbnail.jpegPt100_2HCl4Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---135.77812958; eV
thumbnail.jpegPt511_1HCl6Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---178.05661606; eV
thumbnail.jpegPt100_1HCl4Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---128.75747852; eV
thumbnail.jpegPt311_3HCl4Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---127.57978053; eV
thumbnail.jpegCorner-Pt364_HCl119 Almora, Neyvisvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimization---2682.35092078; eV
thumbnail.jpegPt110_2HCl4Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---235.58553412; eV
thumbnail.jpegPt311_2HCl6Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---162.10746046; eV
thumbnail.jpegPt110_1HCl4Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---228.31852514; eV
thumbnail.jpegPt311_1HCl4Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---117.03657921; eV
thumbnail.jpegFacet-Pt364_HCl119 Almora, Neyvisvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimization---2685.97033515; eV
thumbnail.jpegPt111_1HCl9Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---284.98616981; eV
thumbnail.jpegPt211_2HCl3Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---124.30562090; eV
thumbnail.jpegPt211_1HCl3Ptsurf Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---118.60490238; eV
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