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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jul-2018/Pristine_surfaces 3ODaelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--850.85554632; eV
thumbnail.jpeg2-Aug-2018MDsnap_dimer2_1060Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2219.45174095; eV
thumbnail.jpeg2-Aug-2018MDsnap_dimer2_1160Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2219.37379742; eV
thumbnail.jpeg2-Aug-2018MDsnap_dimer2_1040Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2220.75533468; eV
thumbnail.jpeg23-Aug-2018/ni3p2_ni2p/c2h6 1Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--673.77122106; eV
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-2O Pt+2O_(29)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-onlyGeometry optimizationDFT--857.13362929; eV
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-2O Pt+2O_(31)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--857.05794417; eV
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-2O Pt+2O_(32)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--857.05643614; eV
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-2O Pt+2O_(34)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--856.99315560; eV
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-2O Pt+2O_(33)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--856.99315560; eV
Results 13771-13780 of 103542 (Search time: 0.011 seconds).