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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-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
thumbnail.jpeg22-Aug-2018/ads_sn2_Co_Cu1 isLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--484.52535503; eV
thumbnail.jpeg22-Aug-2018/ads_sn2_Co_Cu2 bh3nh3Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--568.67962537; eV
thumbnail.jpeg22-Aug-2018/ads_sn2_Co_Cu1 sn2Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--483.76426979; eV
thumbnail.jpeg22-Aug-2018/ads_sn2_Co_Cu2 ch3ohLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--561.82583541; eV
thumbnail.jpeg22-Aug-2018/ads_sn2_Co_Cu2 fsLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--581.43014674; eV
thumbnail.jpeg22-Aug-2018/ads_sn2_Co_Cu1 ch3ohLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--464.83686174; eV
thumbnail.jpeg22-Aug-2018/bulk_opt/magnetic_determination antiLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--110.61798702; eV
thumbnail.jpeg23-Aug-2018/solvation/solv tolueneLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimizationDFT--92.95406231; eV
thumbnail.jpeg23-Aug-2018/solvation//solvation solv methyl_but_ol+4hLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimizationDFT--97.23595157; eV
Results 11-20 of 403 (Search time: 0.001 seconds).