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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-May-2016pdau-c4h6o-o-ohJover Modrego, Jesúsvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---410.71872044; eV
thumbnail.jpeg9-May-2016pdau-c4h6o-h2oJover Modrego, Jesúsvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---411.20750733; eV
thumbnail.jpeg9-May-2016pdau-c4h7o-ohJover Modrego, Jesúsvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---410.08714547; eV
thumbnail.jpeg9-May-2016pdau-c4h8o-oJover Modrego, Jesúsvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---410.50551484; eV
thumbnail.jpeg9-May-2016TS_II_primeJover Modrego, Jesúsvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---409.38998571; eV
thumbnail.jpeg9-May-2016TS_III_primeJover Modrego, Jesúsvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---410.11812521; eV
thumbnail.jpeg9-May-2016pdau-oJover Modrego, Jesúsvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---337.99262071; eV
thumbnail.jpeg9-May-2016H2O_VASPJover Modrego, Jesúsvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimization---14.22139457; eV
thumbnail.jpeg9-May-2016O2_VASPJover Modrego, Jesúsvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:49:02) gamma-onlyGeometry optimization---9.85271359; eV
thumbnail.jpeg9-May-2016ROH_VASPJover Modrego, Jesúsvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---71.57993106; eV
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