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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Oct-2017hsls-KCoFe(CN)6_HSE03-13Hegner, Franziska Simonevasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexSingle point---545.96969508; eV
thumbnail.jpeg16-Oct-2017lsls-KCoFe(CN)6+H2O_HSE03-13Hegner, Franziska Simonevasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexSingle point---567.81949966; eV
thumbnail.jpeg16-Oct-2017lsls-KCoFe(CN)6_HSE03-13Hegner, Franziska Simonevasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexSingle point---551.38768993; eV
thumbnail.jpeg16-Oct-2017Fe2O3_HSE03-13Hegner, Franziska Simonevasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexSingle point---283.55862390; eV
thumbnail.jpeg12-Apr-2017f-Na2-PW_PBEsol+U_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---450.97441691; eV
thumbnail.jpeg12-Apr-2017Li-PB_PBEsol+U_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---437.80291658; eV
thumbnail.jpeg12-Apr-2017Fr2-PW_HSE03_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlySingle point---640.55111733; eV
thumbnail.jpeg12-Apr-2017f-Li-PB_PBEsol+U_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---441.92987934; eV
thumbnail.jpeg12-Apr-2017f-Na-PB_PBEsol+U_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---438.85234722; eV
thumbnail.jpeg12-Apr-2017Cs2-PW_PBEsol+U_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---450.66722778; eV
Results 1-10 of 88 (Search time: 0.002 seconds).