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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jan-2018PHI_subFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---3141.10762171; eV
thumbnail.jpeg30-Jan-2018BCN_Cl2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimization---1915.38891798; eV
thumbnail.jpeg30-Jan-2018PTI_subFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimization---1699.95232407; eV
thumbnail.jpeg30-Jan-2018PTI_s1Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimization---1698.99331006; eV
thumbnail.jpeg30-Jan-2018BCN_subFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimization---1908.92795514; eV
thumbnail.jpeg30-Jan-2018BCN_sFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimization---1908.74176727; eV
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-TPP_A2Fako, Edvinvasp; 5.4.4; 24Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---437.79327583; 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.jpeg3-Nov-2017Pd-atom_bFako, Edvinvasp; 5.4.4; 36Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---77.46819342; eV
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