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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.jpeg12-Apr-2017Li-PB_HSE03_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---621.52765265; eV
thumbnail.jpeg12-Apr-2017Rb-PB_HSE03_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---628.38412989; eV
thumbnail.jpeg12-Apr-2017f-Na2-PW_HSE03_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---640.53413713; eV
thumbnail.jpeg12-Apr-2017Na-PB_PBEsol+U_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---437.13909789; eV
thumbnail.jpeg12-Apr-2017Li2-PW_PBEsol+U_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---444.85874677; 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.jpeg12-Apr-2017Rb2-PW_HSE03_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---646.07689993; eV
Results 1-10 of 564 (Search time: 0.002 seconds).