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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required20-Jun-2025/Mn_proj/Molecules/NO2/phonopy/disp_018 disp_018Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-onlySingle pointDFT--6.90465137; eV
Login required20-Jun-2025/Mn_proj/Molecules/NO2/phonopy/disp_017 disp_017Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-onlySingle pointDFT--6.92129805; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_025 disp_025Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68396816; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_024 disp_024Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68579407; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_002 disp_002Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68577473; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_001 disp_001Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68280696; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_029 disp_029Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68514622; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_028 disp_028Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68434592; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_006 disp_006Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68346149; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_010 disp_010Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68608347; eV
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