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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ts_c2h2_P_Ni_site c2h3+h_1Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--875.52455475; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ts_c2h2_P_Ni_site c2h5+h_1Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--884.56725249; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ts_c2h2_PP_site c2h2+2hLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--876.93594438; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ts_c2h2_P_Ni_site c2h3+h_2Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--876.06204893; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ts_c2h2_PP_site c2h5+h_1Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--883.36617878; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ts_c2h2_PP_site c2h3+hLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--877.68409590; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ts_c2h2_P_Ni_site c2h4Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--876.10492906; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ts_c2h2_PP_site c2h5+h_2Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--884.57097526; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ch3 6Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--863.99934269; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ch3 2Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--862.33298433; eV
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