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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Apr-2017lsls-K2-PW_PBEsol+U_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---453.01012636; eV
thumbnail.jpeg12-Apr-2017Na-PB_HSE03_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---626.50149758; eV
thumbnail.jpeg14-Sep-2016O-t_13L_001Capdevila, Marçalvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---1291.91867127; eV
thumbnail.jpeg20-Jul-2017/C2H2_to_C2H4 111_C2H3+HCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1128.58769574; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt H2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---534.00808979; eV
thumbnail.jpeg20-Jul-2017/surfaces In2O3(111)_2xOvac4Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1079.65524927; eV
thumbnail.jpeg12-Apr-2017f-Li2-PW_PBEsol+U_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---457.24315097; eV
thumbnail.jpeg12-Apr-2017f-Li-PB_HSE03_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimization---625.65091212; eV
thumbnail.jpeg1-Dec-2016/gas oxalicLi, Qiangvasp; 5.3.2; 13Sep12 (build Oct 26 2012 12:42:58) complexGeometry optimization---52.64325581; eV
thumbnail.jpeg1-Dec-2016/intermediateds 23_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---668.41710326; eV
Results 1-10 of 10592 (Search time: 0.002 seconds).