1. Barcelona Supercomputing Center

Browsing by Author Almora, Neyvis

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Showing results 1 to 20 of 23  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Jun-2017Corner-Pt364_HCl119Almora, Neyvisvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimization---2682.35092078; eV
thumbnail.jpeg12-Jun-2017Facet-Pt364_HCl119Almora, Neyvisvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimization---2685.97033515; eV
thumbnail.jpeg12-Jun-2017Pt100_1HCl4PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---128.75747852; eV
thumbnail.jpeg12-Jun-2017Pt100_1HCl6PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---189.35878148; eV
thumbnail.jpeg12-Jun-2017Pt100_2HCl4PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---135.77812958; eV
thumbnail.jpeg12-Jun-2017Pt110_1HCl4PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---228.31852514; eV
thumbnail.jpeg12-Jun-2017Pt110_2HCl4PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---235.58553412; eV
thumbnail.jpeg12-Jun-2017Pt110_8HCl12PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---718.23040870; eV
thumbnail.jpeg12-Jun-2017Pt111_1HCl9PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---284.98616981; eV
thumbnail.jpeg12-Jun-2017Pt111_2HCl4PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---136.92068041; eV
thumbnail.jpeg12-Jun-2017Pt111_3HCl9PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---297.96292563; eV
thumbnail.jpeg12-Jun-2017Pt211_1HCl3PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---118.60490238; eV
thumbnail.jpeg12-Jun-2017Pt211_1HCl6PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---230.67053965; eV
thumbnail.jpeg12-Jun-2017Pt211_2HCl3PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---124.30562090; eV
thumbnail.jpeg12-Jun-2017Pt311_1HCl4PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---117.03657921; eV
thumbnail.jpeg12-Jun-2017Pt311_2HCl6PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---162.10746046; eV
thumbnail.jpeg12-Jun-2017Pt311_3HCl4PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---127.57978053; eV
thumbnail.jpeg12-Jun-2017Pt411_10HCl20PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---805.16476521; eV
thumbnail.jpeg12-Jun-2017Pt411_1HCl5PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---192.15698668; eV
thumbnail.jpeg12-Jun-2017Pt411_2HCl5PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---198.73799597; eV
Showing results 1 to 20 of 23  next >