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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/c2h4 17Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--877.40232182; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/c2h4 13Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--875.43041156; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/c2h2 2Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--868.04726447; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/c2h2 10Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--869.19800548; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/c2h4 11Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--876.07830234; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/c2h2 1Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--868.04691113; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/c2h2 4Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--866.97170018; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/c2h4 12Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--876.21857425; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/c2h4 14Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--875.24252036; eV
thumbnail.jpeg23-Aug-2018/ni3p2_ni2p/methyl_but_ol o_h_breakingLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--715.49838020; eV
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