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Showing results 23496 to 23515 of 63047 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Subsurface Rh-1Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1097.13462878; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Subsurface Rh-2Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1096.50026634; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Subsurface Rh-3Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1096.57224900; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Subsurface Rh-4Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1096.65735428; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Subsurface Rh-5Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1097.18936625; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Subsurface Rh-6Morales-Vidal, Jordivasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--1096.39598297; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Subsurface Ru-1Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1098.99413598; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Subsurface Ru-2Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1098.68687880; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Subsurface Ru-3Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1098.83332199; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Subsurface Ru-4Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1098.95237098; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Subsurface Ru-5Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1099.17853946; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Subsurface Ru-6Morales-Vidal, Jordivasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--1098.48452992; eV
thumbnail.jpeg30-Nov-2022/Lattice-incorporations/Subsurface t-ZnZrOx-subsurf_s3Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--436.50301698; eV
thumbnail.jpeg30-Nov-2022/Lattice-incorporations/Subsurface t-ZnZrOx-subsurf_s4Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--435.14094445; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Surface Ag-1Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1090.20781376; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Surface Ag-2Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1091.01968462; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Surface Ag-3Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1090.23953158; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Surface Ag-4Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1090.91197285; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Surface Ag-5Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1090.90803384; eV
thumbnail.jpeg29-Nov-2021/Lattice-incorporations/Surface Ag-6Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1090.47444803; eV
Showing results 23496 to 23515 of 63047 < previous   next >