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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required20-Jun-2025/Mn_proj/Molecules/NO2/phonopy/disp_007 disp_007Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-onlySingle pointDFT--6.89960751; eV
Login required20-Jun-2025/Mn_proj/Molecules/IO4_/phonopy/disp_033 disp_033Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--51.26459821; eV
Login required20-Jun-2025/Mn_proj/Rec_MnOBr/v_Mn/oer/H2O/ZPE ZPEBenzidi, Hindvasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-onlySingle pointDFT--14.14088069; eV
Login required20-Jun-2025/Mn_proj/Molecules/IBr/phonopy/disp_003 disp_003Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--2.72812873; eV
Login required20-Jun-2025/Mn_proj/Molecules/IBr/phonopy/disp_002 disp_002Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--2.72812798; eV
Login required20-Jun-2025/Mn_proj/Molecules/NO2 NO2Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-onlySingle pointDFT--8.18490391; eV
Login required20-Jun-2025/Mn_proj/Bulk_structues/mixed_MnBrIO/BrI_10_14 BrI_10_14Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Jun 12 2024 12:22:38) complexSingle pointDFT--1101.47098731; eV
Login required20-Jun-2025/Mn_proj/Molecules/MnO4_2/scan/phonopy/disp_015 disp_015Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--180.62566676; eV
Login required20-Jun-2025/Mn_proj/Surfaces/112/phonopy/disp_169 disp_169Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--1043.61618822; eV
Login required20-Jun-2025/Mn_proj/Surfaces/112/phonopy/disp_173 disp_173Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--1043.61188044; eV
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