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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Apr-2020BN_aloneFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2135.59286989; eV
thumbnail.jpeg24-Apr-2020Pd111_Bsub-ac06Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--225.71771595; eV
thumbnail.jpeg24-Apr-2020Pd111_Bsub-ac05Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--225.77625813; eV
thumbnail.jpeg24-Apr-2020mech_clean_h2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--199.62004505; eV
thumbnail.jpeg24-Apr-2020mech_clean_hhFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--199.61990837; eV
thumbnail.jpeg24-Apr-2020mech_clean_a3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--224.94090548; eV
thumbnail.jpeg24-Apr-2020mech_clean_a1Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--224.64669641; eV
thumbnail.jpeg24-Apr-2020mech_clean_acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--216.89217750; eV
thumbnail.jpeg24-Apr-2020mech_clean_a2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--224.66299228; eV
thumbnail.jpeg24-Apr-2020mech_bsub_h2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--207.89316309; eV
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