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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Jan-2020/OER/tilt_fe mohZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--784.83682644; eV
thumbnail.jpeg28-Nov-2017ss-OsPt-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---460.27446470; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-COOH-U-6_3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--762.30866738; eV
thumbnail.jpeg28-May-2022/CuAg Cu2Ag3(110)-Cu-t-facetDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--165.43025321; eV
thumbnail.jpeg25-Jun-2024/Intermediates/Rh/100 C3H7NO2Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--401.92654621; eV
thumbnail.jpeg25-Jun-2024/Intermediates/Pt/100 C8H10_3Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--388.49776214; eV
thumbnail.jpeg30-Nov-2022/Oxygen-vacancies/x-ZnZrOx-slab/m-ZnZrOx-1vac/Zn-subsurf-m-ZnZrOx-1vac m8-m-ZnZrOx-vac-ss-2Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--431.45892131; eV
thumbnail.jpeg20-Feb-2024/CsSnX3/CsSnCl3/Monoclinic PBE-SOC-HSE06Echeverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complexSingle pointDFT--84.53555204; eV
Login required6-Feb-2025/InSnCl3_Pm3m OPTEcheverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complexGeometry optimizationDFT--17.31151973; eV
thumbnail.jpeg24-Apr-2020schottky-defect_schot-surfFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--3712.76934632; eV
Results 33331-33340 of 104515 (Search time: 0.032 seconds).