Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ts_c2h2_P_Ni_site c2h4+2hLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--883.84616015; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ts_c2h2_PP_site c2h4Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--877.39644545; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ts_c2h2_PP_site ts_5_6_1Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--881.75678174; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ts_c2h2_PP_site ts_5_6_2Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--882.37365284; 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/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/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 c2h4+2hLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--884.24427658; 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
Results 71-80 of 314 (Search time: 0.021 seconds).

Discover