1. Barcelona Supercomputing Center

Browsing by Author Lian, Zan

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Showing results 1 to 20 of 6424  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required6-Sep-2023/adsorption/Co/C fccLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--445.06356612; eV
Login required6-Sep-2023/adsorption/Co/C hcpLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--445.37767616; eV
Login required6-Sep-2023/adsorption/Co/C topLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--443.22529210; eV
Login required6-Sep-2023/adsorption/Co/C2H4 brgLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--469.63212074; eV
Login required6-Sep-2023/adsorption/Co/C2H4 from2CH2Lian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--470.12287909; eV
Login required6-Sep-2023/adsorption/Co/C2H4 hcp+topLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--470.12525114; eV
Login required6-Sep-2023/adsorption/Co/C2H4 topLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--469.99372978; eV
Login required6-Sep-2023/adsorption/Co/CH hcpLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--449.64103122; eV
Login required6-Sep-2023/adsorption/Co/CH top_become_fccLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--449.46737695; eV
Login required6-Sep-2023/adsorption/Co/CH2 fccLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--453.19909250; eV
Login required6-Sep-2023/adsorption/Co/CH2 hcpLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--453.25576713; eV
Login required6-Sep-2023/adsorption/Co/CH2 topLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--452.24914018; eV
Login required6-Sep-2023/adsorption/Co/CO fccLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--453.56939700; eV
Login required6-Sep-2023/adsorption/Co/CO hcpLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--453.59001667; eV
Login required6-Sep-2023/adsorption/Co/CO topLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--453.56739569; eV
Login required6-Sep-2023/adsorption/Co/H fccLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--440.89667490; eV
Login required6-Sep-2023/adsorption/Co/H hcpLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--440.85808746; eV
Login required6-Sep-2023/adsorption/Co/H topLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--440.28031468; eV
Login required6-Sep-2023/adsorption/Co/O fccLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--444.44723117; eV
Login required6-Sep-2023/adsorption/Co/O hcpLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--444.57806326; eV
Showing results 1 to 20 of 6424  next >