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Showing results 195092 to 195111 of 317899 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021/Adsorption/CN/C bridgeBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--68.80587257; eV
thumbnail.jpeg25-Feb-2021/Adsorption/CN/C fccBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--68.80577100; eV
thumbnail.jpeg25-Feb-2021/Adsorption/CN/C hcpBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--68.78231002; eV
thumbnail.jpeg25-Feb-2021/Adsorption/CN/C topBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--68.31275116; eV
thumbnail.jpeg25-Feb-2021/Adsorption/CN/C/CN- bridgeBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--70.09127048; eV
thumbnail.jpeg25-Feb-2021/Adsorption/CN/C/CN- fccBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--70.09021784; eV
thumbnail.jpeg25-Feb-2021/Adsorption/CN/C/CN- hcpBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--70.07654638; eV
thumbnail.jpeg25-Feb-2021/Adsorption/CN/C/CN- topBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--69.84512759; eV
thumbnail.jpeg25-Feb-2021/Adsorption/CN/N bridgeBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--68.11747478; eV
thumbnail.jpeg25-Feb-2021/Adsorption/CN/N fccBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--68.11787322; eV
thumbnail.jpeg25-Feb-2021/Adsorption/CN/N hcpBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--68.05082518; eV
thumbnail.jpeg25-Feb-2021/Adsorption/CN/N topBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--67.69339238; eV
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
Showing results 195092 to 195111 of 317899 < previous   next >