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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-May-2018H2_a6Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--1990.71118979; eV
thumbnail.jpeg28-Nov-2017ol-AuCo-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---193.73092453; eV
thumbnail.jpeg28-Nov-2017ol-AuCd-0000García Muelas, Rodrigovasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexGeometry optimization---123.42576773; eV
thumbnail.jpeg28-Nov-2017ol-AgPd-0000García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---153.09893690; eV
thumbnail.jpeg16-May-2018MECH_TS2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationPBE--2073.40760990; eV
thumbnail.jpeg16-May-2018MECH_c6Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2077.08842392; eV
thumbnail.jpeg16-May-2018HH_b1Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2001.85422613; eV
thumbnail.jpeg16-May-2018MECH_TS1Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationPBE--1993.37799303; eV
thumbnail.jpeg16-May-2018H2_b1Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2003.33269776; eV
thumbnail.jpeg16-May-2018MECH_TS4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointPBE--2075.02729776; eV
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