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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
29-Sep-2021 | /AIMD Au(111)-3sqrt3x3sqrt3-Nd-CO2-AIMD-it-1 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -1421.49270515; eV | ||||
29-Sep-2021 | /AIMD Au(111)-3sqrt3x3sqrt3-Mg-CO2-AIMD-it-2 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -1420.19071210; eV | ||||
29-Sep-2021 | /AIMD Au(111)-3sqrt3x3sqrt3-Li-H2O-AIMD-it-1 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -1417.66572430; eV | ||||
29-Sep-2021 | /AIMD Au(111)-3sqrt3x3sqrt3-Nd-CO2-AIMD-it-2 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -1422.08746070; eV | ||||
29-Sep-2021 | /AIMD Au(111)-3sqrt3x3sqrt3-Nd-CO2-AIMD-it-3 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -1421.98856093; eV | ||||
29-Sep-2021 | /AIMD Au(111)-3sqrt3x3sqrt3-H-H2O-AIMD-it-1 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -1416.95721609; eV | ||||
29-Sep-2021 | /AIMD Au(111)-3sqrt3x3sqrt3-Mg-H2O-AIMD-it-1 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -1410.27000965; eV | ||||
29-Sep-2021 | /AIMD Au(111)-3sqrt3x3sqrt3-Mg-CO2-AIMD-it-1 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -1417.80433674; eV | ||||
29-Sep-2021 | /AIMD Au(111)-3sqrt3x3sqrt3-Cs-H2O-AIMD-it-4 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -1415.37621710; eV | ||||
29-Sep-2021 | /AIMD Au(111)-3sqrt3x3sqrt3-Ba-H2O-AIMD-it-2 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -1416.31352241; eV |
Results 1-10 of 46 (Search time: 0.002 seconds).