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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required20-Jun-2025/Mn_proj/Molecules/MnO4_2/scan/phonopy/disp_020 disp_020Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--180.61948571; eV
Login required20-Jun-2025/Mn_proj/Surfaces/Br_Isurfaces/slab_111 slab_111Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--1011.02668887; eV
Login required20-Jun-2025/Mn_proj/Bulk_structues/MnO/phonopy/disp_001 disp_001Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-onlySingle pointDFT--57.21796755; eV
Login required20-Jun-2025/Mn_proj/Surfaces/112/phonopy/disp_274 disp_274Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--1043.61111838; eV
Login required20-Jun-2025/Mn_proj/Surfaces/I3_100 I3_100Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--1168.59265379; eV
Login required20-Jun-2025/Mn_proj/OER/MnIO/slab_101/H2O H2OBenzidi, Hindvasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-onlySingle pointDFT--14.23324004; eV
Login required20-Jun-2025/Mn_proj/Surfaces/100/scan/vMn vMnBenzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--
Login required20-Jun-2025/Mn_proj/Molecules/Mn_H2O/phonopy/disp_088 disp_088Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--91.60846126; eV
Login required20-Jun-2025/Mn_proj/Surfaces/112/phonopy/disp_018 disp_018Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--1043.60603885; eV
Login required20-Jun-2025/Mn_proj/Surfaces/112/phonopy/disp_179 disp_179Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--1043.61344139; eV
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