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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Aug-2018/ads_sn2_Co_Cu1 slabLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--433.98136627; eV
Login required22-Aug-2018/ads_sn2_Co_Cu2 slabLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--531.05509024; eV
Login required22-Aug-2018/xps/Co_Cu3 132Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.57158762; eV
Login required22-Aug-2018/xps/Co_Cu3 130Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.43860196; eV
Login required22-Aug-2018/xps/Co_Cu3 124Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.56374073; eV
Login required22-Aug-2018/bulk_opt co_oh_2Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--106.68554452; eV
Login required22-Aug-2018/ads_sn2_Cu111 hLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--227.46019314; eV
Login required22-Aug-2018/solvation/solvent ch3ohLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimizationDFT--30.20853760; eV
Login required22-Aug-2018/gas_opt bh3nh3_gasLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--36.91970268; eV
Login required22-Aug-2018/ads_sn2_Co_Cu1 fsLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--485.62087589; eV
Results 11-20 of 403 (Search time: 0.0 seconds).