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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-May-2018Au_mobility_a6_tsFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationPBE--1980.62896380; eV
thumbnail.jpeg16-May-2018Au_mobility_a6Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--1983.81266948; eV
thumbnail.jpeg16-May-2018Au_mobility_a4_intFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--1985.95735224; eV
thumbnail.jpeg16-May-2018Au_mobility_a4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--1986.87076660; eV
thumbnail.jpeg16-May-2018Au_mobility_a5Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--1980.83459657; eV
thumbnail.jpeg16-May-2018Au_mobility_a4_tsFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationPBE--1985.57511630; eV
thumbnail.jpeg16-May-2018Au_mobility_a2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--1991.80807123; eV
thumbnail.jpeg11-Feb-2016Ru4García, Rodrigovasp; 5.2.12; 11Nov11 complexAb-Initio Molecular Dynamics---2262.346995; eV
thumbnail.jpeg16-May-2018Au_mobility_a1_tsFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationPBE--1991.43681141; eV
thumbnail.jpeg16-May-2018Au_mobility_a3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2006.72983107; eV
Results 22631-22640 of 104508 (Search time: 0.015 seconds).