Browsing by Author Fako, Edvin

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Nov-2018_Pt1_b_staticFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--169.03231736; eV
thumbnail.jpeg5-Nov-2018_Pt1_hFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--168.30504947; eV
thumbnail.jpeg5-Nov-2018_Pt1_h1Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--168.30841556; eV
thumbnail.jpeg5-Nov-2018_Pt1_tFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--168.88440110; eV
thumbnail.jpeg18-Sep-2019Pt_atomFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--0.58730784; eV
thumbnail.jpeg5-Nov-2018_Pt_bridgeFako, Edvinvasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complexSingle pointDFT--170.21584640; eV
thumbnail.jpeg5-Nov-2018_Pt_hollowFako, Edvin-N/ADFT--
thumbnail.jpeg5-Nov-2018_Pt_topFako, Edvinvasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complexSingle pointDFT--170.29580797; eV
thumbnail.jpeg18-Sep-2019PtClFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--4.54803755; eV
thumbnail.jpeg30-Jan-2018PTIFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimization---1696.01967053; eV
thumbnail.jpeg30-Jan-2018PTI_Cl2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---1706.80539246; eV
thumbnail.jpeg30-Jan-2018PTI_Mg_Cl2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimization---1706.96907646; 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-2018PTI_subFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimization---1699.95232407; eV
thumbnail.jpeg23-Jul-2019rol2_din2_PtFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1967.21841450; eV
thumbnail.jpeg6-Mar-2018scaf_din3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--1990.79118144; eV
thumbnail.jpeg6-Mar-2018scaf_din4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--1980.22190239; eV
thumbnail.jpeg6-Mar-2018scaf_epoFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--2010.24054630; eV
thumbnail.jpeg6-Mar-2018scaf_epo2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--2014.52978562; eV
thumbnail.jpeg6-Mar-2018scaf_graFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--2004.59889873; eV