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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ts_c2h2_PP_site ts_4_5_1Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexImproved Dimer MethodDFT--881.74779907; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ts_c2h2_PP_site ts_2_3Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexImproved Dimer MethodDFT--876.01773415; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ts_c2h2_PP_site ts_4_5_2Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--882.84274806; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/c2h6 5Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--883.93133420; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/c2h6 6Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--883.90520739; 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
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/h2 7Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--850.93444976; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ch3 3Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--863.61405709; eV
thumbnail.jpeg23-Aug-2018/ni3p1_ni2p/ts_calculation ts_4_5_2Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexImproved Dimer MethodDFT--675.21331732; eV
Results 1021-1030 of 1038 (Search time: 0.002 seconds).