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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Aug-2018/ads_sn2_Cu111 fsLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--274.22740312; eV
Login required22-Aug-2018/ads_sn2_Cu111 ch3ohLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--254.27115700; eV
Login required22-Aug-2018/ads_sn2_Cu111 bh3nh3Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--261.30172611; eV
Login required22-Aug-2018/ads_sn2_Co2_Cu2 bh3nh3Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--476.15263213; eV
Login required22-Aug-2018/ads_sn2_Co2_Cu2 fsLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--489.24242835; eV
Login required22-Aug-2018/ads_sn2_Co2_Cu2 sn2Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--488.29130177; eV
Login required22-Aug-2018/ads_sn2_Co2_Cu2 slabLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--438.10302722; eV
Login required22-Aug-2018/ads_sn2_Co_Cu2 sn2Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--580.08914157; eV
Login required22-Aug-2018/ads_sn2_Co_Cu3 bh3nh3Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--660.76115711; eV
Login required22-Aug-2018/ads_sn2_Co_Cu3 bh3ohLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--673.59294122; eV
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