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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Jul-2018Edge_N5@N_AuClFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2826.22055771; eV
thumbnail.jpeg16-Jul-2018Edge_N6Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2911.13458741; eV
thumbnail.jpeg16-Jul-2018Edge_N6@2N_AuFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2912.67015651; eV
thumbnail.jpeg16-Jul-2018Edge_N6@2N_AuClFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2917.25491688; eV
thumbnail.jpeg16-Jul-2018Edge_N6@CN_AuFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2911.63999654; eV
thumbnail.jpeg16-Jul-2018Edge_N6@CN_AuClFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2915.87423880; eV
thumbnail.jpeg16-Jul-2018Edge_NH6Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2307.30260668; eV
thumbnail.jpeg16-Jul-2018Edge_NH6@C_AuFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2309.29858997; eV
thumbnail.jpeg16-Jul-2018Edge_NH6@C_AuClFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2313.30923855; eV
thumbnail.jpeg16-Jul-2018Edge_NH6@NH_AuFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2309.95598687; eV
thumbnail.jpeg16-Jul-2018Edge_NH6@NH_AuClFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2312.91918133; eV
thumbnail.jpeg16-Jul-2018Edge_OHFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--3002.96685853; eV
thumbnail.jpeg16-Jul-2018Edge_OH@C_AuFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--3003.50444740; eV
thumbnail.jpeg16-Jul-2018Edge_OH@C_AuClFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--
thumbnail.jpeg16-Jul-2018Edge_OH@CH_AuFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--3003.74065271; eV
thumbnail.jpeg16-Jul-2018Edge_OH@CH_AuClFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--
thumbnail.jpeg16-Jul-2018Edge_OH@OH_AuFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--
thumbnail.jpeg16-Jul-2018Edge_OH@OH_AuClFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--
thumbnail.jpeg10-May-2016/empty_capsules_single_point C60_AAAASerapian, StefanoADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg10-May-2016/empty_capsules_single_point C60_AASASerapian, StefanoADF; 2013; 01Single pointDFTTZP-