Browsing by Author Li, Qiang

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Aug-2018/ads_Co_OH2 bh3nh3Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--887.54403886; eV
Login required22-Aug-2018/ads_Co_OH2 ch3ohLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--880.53390917; eV
Login required22-Aug-2018/ads_Co_OH2 slabLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--850.24247231; 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 ch3ohLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--469.13083049; 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 isLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--489.06121599; 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_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_Co_Cu1 bh3nh3Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--471.81884776; eV
Login required22-Aug-2018/ads_sn2_Co_Cu1 bh3ohLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--463.07944273; eV
Login required22-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
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
Login required22-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
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_Cu1 sn2Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--483.76426979; eV
Login required22-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
Login required22-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
Login required22-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
Login required22-Aug-2018/ads_sn2_Co_Cu2 isLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--580.98453164; eV