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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Aug-2018/ni3p1_ni2p/ts_calculation ts_4_5_1Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--675.25342002; eV
thumbnail.jpeg23-Aug-2018/ni3p1_ni2p/ts_calculation chch2+hLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--667.93200749; eV
thumbnail.jpeg23-Aug-2018/ni3p1_ni2p/ts_calculation ts_3_4Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--667.51837383; eV
thumbnail.jpeg23-Aug-2018/ni3p1_ni2p/ts_calculation ts_2_3Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--666.35784777; eV
thumbnail.jpeg23-Aug-2018/ni111/ch3 1Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--208.42488751; eV
thumbnail.jpeg23-Aug-2018/ni111/ts_calculation c2h4+2hLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--229.13693110; eV
thumbnail.jpeg23-Aug-2018/ni111/ts_calculation c2h2+2hLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--221.78564772; eV
thumbnail.jpeg23-Aug-2018/ni111/c2h6 c2h6Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--228.81594603; eV
thumbnail.jpeg23-Aug-2018/ni111/c2h4 3Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--221.08415086; eV
thumbnail.jpeg23-Aug-2018/ni111/c2h4 4Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--221.08112346; eV
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