Browsing by Author Fako, Edvin

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Sep-2019screen_Au-graFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2005.44602501; eV
thumbnail.jpeg18-Sep-2019screen_Au-h-rol1_din2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1994.59913112; eV
thumbnail.jpeg18-Sep-2019screen_Au-h-rol3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1982.47620269; eV
thumbnail.jpeg18-Sep-2019screen_Au-keto2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1975.11967990; eV
thumbnail.jpeg18-Sep-2019screen_Au-keto4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1951.20314633; eV
thumbnail.jpeg18-Sep-2019screen_Au-o-din3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1996.98237010; eV
thumbnail.jpeg18-Sep-2019screen_Au-o-din4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1986.89087331; eV
thumbnail.jpeg18-Sep-2019screen_Au-ohFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2017.10138492; eV
thumbnail.jpeg18-Sep-2019screen_Au-oh2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2024.15343682; eV
thumbnail.jpeg18-Sep-2019screen_Au-pristineFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2006.81238139; eV
thumbnail.jpeg18-Sep-2019screen_Au-rol1_din2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1990.00198708; eV
thumbnail.jpeg18-Sep-2019screen_Au-rol2_din2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1959.18013657; eV
thumbnail.jpeg18-Sep-2019screen_Au-rol3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1969.23645513; eV
thumbnail.jpeg18-Sep-2019screen_AuCl-din3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1996.48417647; eV
thumbnail.jpeg18-Sep-2019screen_AuCl-din4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1986.21828795; eV
thumbnail.jpeg18-Sep-2019screen_AuCl-epoFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2015.55951939; eV
thumbnail.jpeg18-Sep-2019screen_AuCl-epo2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2019.90883766; eV
thumbnail.jpeg18-Sep-2019screen_AuCl-graFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2008.81217852; eV
thumbnail.jpeg18-Sep-2019screen_AuCl-h-rol1_din2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1999.16428655; eV
thumbnail.jpeg18-Sep-2019screen_AuCl-h-rol3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1982.47620470; eV