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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Aug-2018/xps/Co_Cu3 115Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.04060352; eV
Login required22-Aug-2018/xps/Co_Cu3 116Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.55337014; eV
Login required22-Aug-2018/xps/Co_Cu3 117Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.60693032; eV
Login required22-Aug-2018/xps/Co_Cu3 118Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.65013895; eV
Login required22-Aug-2018/xps/Co_Cu3 119Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.55347350; eV
Login required22-Aug-2018/xps/Co_Cu3 120Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.74005930; eV
Login required22-Aug-2018/xps/Co_Cu3 121Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.67450736; eV
Login required22-Aug-2018/xps/Co_Cu3 122Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.56235344; eV
Login required22-Aug-2018/xps/Co_Cu3 123Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--907.87051369; 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/xps/Co_Cu3 125Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--906.98898655; eV
Login required22-Aug-2018/xps/Co_Cu3 126Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.38872263; eV
Login required22-Aug-2018/xps/Co_Cu3 127Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.58563863; eV
Login required22-Aug-2018/xps/Co_Cu3 128Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.58212002; eV
Login required22-Aug-2018/xps/Co_Cu3 129Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.51691969; 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 131Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.54706528; 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 133Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.58386728; eV
Login required22-Aug-2018/xps/Co_Cu3 134Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--908.51163458; eV