Browsing by Author Fako, Edvin

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Sep-2019acetyleneFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--22.94661632; eV
thumbnail.jpeg16-May-2018ADS_a4_acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2010.07583620; eV
thumbnail.jpeg16-May-2018ADS_a4_alpha-olFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2068.16672082; eV
thumbnail.jpeg16-May-2018ADS_a4_gamma-olFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2066.60666335; eV
thumbnail.jpeg16-May-2018ADS_a4_hexFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2076.76685320; eV
thumbnail.jpeg16-May-2018ADS_a6_acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2006.98295175; eV
thumbnail.jpeg16-May-2018ADS_a6_alpha-olFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2063.69973638; eV
thumbnail.jpeg16-May-2018ADS_a6_gamma-olFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2063.55402786; eV
thumbnail.jpeg16-May-2018ADS_a6_hexFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2073.76543495; eV
thumbnail.jpeg16-May-2018ADS_b1_acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2019.61478942; eV
thumbnail.jpeg16-May-2018ADS_b1_alpha-olFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2076.56011054; eV
thumbnail.jpeg16-May-2018ADS_b1_gamma-olFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2076.33395063; eV
thumbnail.jpeg16-May-2018ADS_b1_hexFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2086.51038884; eV
thumbnail.jpeg18-Sep-2019ads_din3-clean-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2013.92104328; eV
thumbnail.jpeg18-Sep-2019ads_din3-Pt-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2020.84047940; eV
thumbnail.jpeg18-Sep-2019ads_din3-PtCl-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2024.35892172; eV
thumbnail.jpeg18-Sep-2019ads_din4-clean-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2003.40635422; eV
thumbnail.jpeg18-Sep-2019ads_din4-Pt-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2011.96011979; eV
thumbnail.jpeg18-Sep-2019ads_din4-PtCl-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2013.72304015; eV
thumbnail.jpeg18-Sep-2019ads_epo-clean-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2034.01383212; eV