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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Apr-2017H2O_solvated_PBEsolHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complexGeometry optimization---13.90801607; eV
thumbnail.jpeg12-Apr-2017CoFe-PB+H2O_PBEsol_optimisationHegner, Franziska Simonevasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---486.76517749; eV
thumbnail.jpeg12-Apr-2017lsls_KCoFe(CN)6_HSE03-13Hegner, Franziska Simonevasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimization---550.29488143; eV
thumbnail.jpeg12-Apr-2017lsls_KCoFe(CN)6_HSE03-25Hegner, Franziska Simonevasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimization---616.24580722; eV
thumbnail.jpeg12-Apr-2017hsls_KCoFe(CN)6_HSE03-13Hegner, Franziska Simonevasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimization---547.22420032; eV
thumbnail.jpeg12-Apr-2017hsls_KCoFe(CN)6_HSE03-0Hegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 20 2015 09:11:32) gamma-onlyGeometry optimization---477.03014338; eV
thumbnail.jpeg12-Apr-2017hsls_KCoFe(CN)6_HSE03-20Hegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 20 2015 09:11:32) gamma-onlyGeometry optimization---586.63502137; eV
thumbnail.jpeg12-Apr-2017CoFe-PB+H2O_PBEsol_staticHegner, Franziska Simonevasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexSingle point---486.60201398; eV
thumbnail.jpeg12-Apr-2017H2O_non-solvated_PBEsolHegner, Franziska Simonevasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---13.60449144; eV
thumbnail.jpeg12-Apr-2017hsls-KCoFe(CN)6_PBEsolHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---466.07498155; eV
Results 51-60 of 150 (Search time: 0.001 seconds).