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Showing results 195113 to 195132 of 317777 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
Login required6-Sep-2023/adsorption/Co/O topLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--443.04060676; eV
Login required6-Sep-2023/adsorption/CoMnO/C fcctohcp_CoLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--558.23444169; eV
Login required6-Sep-2023/adsorption/CoMnO/C hcptobrg_CoLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--558.49434736; eV
Login required6-Sep-2023/adsorption/CoMnO/C Mntobrg_subLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--558.24411103; eV
Login required6-Sep-2023/adsorption/CoMnO/C OtoCOLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--556.15108897; eV
Login required6-Sep-2023/adsorption/CoMnO/C top2tobrg_subLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--558.24307536; eV
Login required6-Sep-2023/adsorption/CoMnO/C toptohcp_CoLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--558.23521398; eV
Login required6-Sep-2023/adsorption/CoMnO/C2H4 fcctotop2Lian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--582.86444360; eV
Login required6-Sep-2023/adsorption/CoMnO/C2H4 hcptotop2Lian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--582.88394627; eV
Login required6-Sep-2023/adsorption/CoMnO/C2H4 MntophyLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--582.02486153; eV
Login required6-Sep-2023/adsorption/CoMnO/C2H4 OtophyLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--581.81967962; eV
Login required6-Sep-2023/adsorption/CoMnO/C2H4 topLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--582.57221673; eV
Login required6-Sep-2023/adsorption/CoMnO/C2H4 top2Lian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--582.87826344; eV
Login required6-Sep-2023/adsorption/CoMnO/CH fcctohcp_COLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--562.38310249; eV
Login required6-Sep-2023/adsorption/CoMnO/CH hcptofcc_CoLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--562.19532954; eV
Login required6-Sep-2023/adsorption/CoMnO/CH Mntofcc_CoLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--562.18940575; eV
Login required6-Sep-2023/adsorption/CoMnO/CH OtoCHOLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--560.90270640; eV
Login required6-Sep-2023/adsorption/CoMnO/CH top2tofcc_CoLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--562.27583150; eV
Login required6-Sep-2023/adsorption/CoMnO/CH toptohcp_CoLian, Zanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--562.38009531; eV
Showing results 195113 to 195132 of 317777 < previous   next >