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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Nov-2017Pd-ECN_TS3Fako, Edvinvasp; 5.4.4; 43Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle point---2146.67028146; eV
thumbnail.jpeg3-Nov-2017Pd-ECN_TS1Fako, Edvinvasp; 5.4.4; 46Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle point---1981.17071660; eV
thumbnail.jpeg9-Nov-2017Pd-ECN_TS2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle point---2152.09677131; eV
thumbnail.jpeg3-Nov-2017Pd-atom_TS1Fako, Edvinvasp; 5.4.4; 37Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle point---76.70284968; eV
thumbnail.jpeg3-Nov-2017Pd-TPP_TS4Fako, Edvinvasp; 5.4.4; 20Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle point---594.49066603; eV
thumbnail.jpeg3-Nov-2017Pd-atom_TS4Fako, Edvinvasp; 5.4.4; 29Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle point---146.63695072; eV
thumbnail.jpeg3-Nov-2017Pd-TPP_TS1Fako, Edvinvasp; 5.4.4; 27Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle point---524.32077792; eV
thumbnail.jpeg3-Nov-2017Pd-ECN_TS4Fako, Edvinvasp; 5.4.4; 39Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle point---2051.39311195; eV
thumbnail.jpeg3-Nov-2017Pd-atom_TS3Fako, Edvinvasp; 5.4.4; 30Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle point---211.65617058; eV
thumbnail.jpeg16-May-2018HH_a6_tsFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointPBE--1988.82803069; eV
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