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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Jun-2022RuCl2-H_2xN5+2xN6Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1306.55573685; eV
thumbnail.jpeg30-Nov-2022/Profiles/c-ZnZrOx c-ZnZrOx-r08a09Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--462.45161528; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/ag/111 ag-55N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--197.16623318; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/gas 4aZfMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--89.86611798; eV
thumbnail.jpeg28-Sep-2021/cation-accumulation Au(111)-3sqrt3x3sqrt3-Li-Ref-2-t-1101-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1396.54130458; eV
thumbnail.jpeg30-Nov-2022/Profiles/c-ZnZrOx c-ZnZrOx-r0304aMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--461.79560295; eV
thumbnail.jpeg30-Nov-2022/Profiles/c-ZnZrOx c-ZnZrOx-r0304bMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--461.38520784; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/ag/111 ag-55N1-bMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--197.01947174; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/ag/111 ag-45N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--188.24770184; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/gas 4aZkMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--89.47953894; eV
Results 12531-12540 of 37977 (Search time: 0.018 seconds).