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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Nov-2020/Pristine-Co-MOF-74 A-OH-AFMMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1192.66458220; eV
thumbnail.jpeg6-Nov-2020/Pristine-Fe-MOF-74 B-AFM-freqMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexFrequenciesDFT--1210.43162897; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/os/0001 os-45N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--582.51068593; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/os/0001 os-55N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--592.02399860; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/os/0001 os-66S1-bMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--601.07217243; eV
thumbnail.jpeg6-Nov-2020/Pristine-Fe-MOF-74 B-O-H₂O-AFM-freqMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexFrequenciesDFT--1229.33208315; eV
thumbnail.jpeg9-Feb-2021TSIII-IVAMartín Torres, InmaculadaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg9-Feb-2021TSI-IIBMartín Torres, InmaculadaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg9-Feb-2021TSI-IIAMartín Torres, InmaculadaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg9-Feb-2021III-AMartín Torres, InmaculadaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
Results 19451-19460 of 63315 (Search time: 0.021 seconds).