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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required20-Jun-2025/Mn_proj/Molecules/NO2/phonopy/disp_013 disp_013Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-onlySingle pointDFT--6.91296494; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_012 disp_012Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68679011; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_011 disp_011Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68662760; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_023 disp_023Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68598750; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_009 disp_009Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68565660; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_004 disp_004Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68623057; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_014 disp_014Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68437668; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_013 disp_013Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68435203; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_022 disp_022Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68298952; eV
Login required20-Jun-2025/Mn_proj/Molecules/BrO3−/phonopy/disp_003 disp_003Benzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--336.68092026; eV
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