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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Mar-2018AuCl_keto2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--1979.52373927; eV
thumbnail.jpeg6-Mar-2018AuCl_keto4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--1953.52463228; eV
thumbnail.jpeg16-May-2018AuCl_mobility_b1Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--1996.36068711; eV
thumbnail.jpeg16-May-2018AuCl_mobility_b1_tsFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationPBE--1995.52880339; eV
thumbnail.jpeg16-May-2018AuCl_mobility_b2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--1995.79714017; eV
thumbnail.jpeg16-May-2018AuCl_mobility_b3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2011.07688226; eV
thumbnail.jpeg16-May-2018AuCl_mobility_b3_tsFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationPBE--2011.05988109; eV
thumbnail.jpeg16-May-2018AuCl_mobility_b4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--1990.50007846; eV
thumbnail.jpeg16-May-2018AuCl_mobility_b4_tsFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationPBE--1990.41336024; eV
thumbnail.jpeg16-May-2018AuCl_mobility_b5Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--1990.16359759; eV
thumbnail.jpeg16-May-2018AuCl_mobility_b6Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--1985.92753946; eV
thumbnail.jpeg16-May-2018AuCl_mobility_b6_tsFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--1985.92753946; eV
thumbnail.jpeg16-May-2018AuCl_mobility_b7Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--1986.13812281; eV
thumbnail.jpeg6-Mar-2018AuCl_o-din3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--2001.28633057; eV
thumbnail.jpeg6-Mar-2018AuCl_o-din4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--1990.25206391; eV
thumbnail.jpeg6-Mar-2018AuCl_ohFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--2021.19619961; eV
thumbnail.jpeg6-Mar-2018AuCl_oh2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--2028.15745741; eV
thumbnail.jpeg6-Mar-2018AuCl_pristineFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--2011.07628655; eV
thumbnail.jpeg6-Mar-2018AuCl_rol1_din2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--1993.95812783; eV
thumbnail.jpeg6-Mar-2018AuCl_rol3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--1972.78388442; eV