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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required20-Jun-2025/Mn_proj/Molecules/MnO4_2 MnO4_2Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--38.35931598; eV
Login required20-Jun-2025/Mn_proj/OER/MnIO/slab_111/H2/ZPE ZPEBenzidi, Hindvasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-onlySingle pointDFT--6.63216523; eV
Login required20-Jun-2025/Mn_proj/Surfaces/112 112Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--1054.22499804; eV
Login required20-Jun-2025/Mn_proj/Bulk_structues/MnBrO/Phonopy/disp_005 disp_005Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-onlySingle pointDFT--1113.66033599; eV
Login required20-Jun-2025/Mn_proj/Molecules/Mn_H2O/phonopy/disp_023 disp_023Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--91.60866047; eV
Login required20-Jun-2025/Mn_proj/Surfaces/Br_Isurfaces/slab_010 slab_010Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--1085.08718706; eV
Login required20-Jun-2025/Mn_proj/Surfaces/112/phonopy/disp_083 disp_083Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--1043.63568997; eV
Login required20-Jun-2025/Mn_proj/Surfaces/112/phonopy/disp_008 disp_008Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--1043.61124846; eV
Login required20-Jun-2025/Mn_proj/Molecules/IO4_/phonopy/disp_006 disp_006Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--51.26696644; eV
Login required20-Jun-2025/Mn_proj/Molecules/IO4_/phonopy/disp_003 disp_003Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--51.26565518; eV
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