Browsing by Title
Showing results 9565 to 9584 of 63063
< previous
next >
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Mar-2022 | Co-4O-2Ce3-32_34 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -859.32978010; eV | |||
 | 1-Mar-2022 | Co-4O-2Ce3-32_35 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -859.25481729; eV | |||
 | 1-Mar-2022 | Co-4O-2Ce3-32_36 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -859.39537467; eV | |||
 | 1-Mar-2022 | Co-4O-2Ce3-33_34 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -859.28556607; eV | |||
 | 1-Mar-2022 | Co-4O-2Ce3-33_35 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -859.25099686; eV | |||
 | 1-Mar-2022 | Co-4O-2Ce3-33_36 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -858.79958801; eV | |||
 | 1-Mar-2022 | Co-4O-2Ce3-34_35 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -859.20004366; eV | |||
 | 1-Mar-2022 | Co-4O-2Ce3-34_36 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -859.24968706; eV | |||
 | 1-Mar-2022 | Co-4O-2Ce3-35_36 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -859.24580775; eV | |||
 | 1-Mar-2022 | Co-4O-600K_10ps_1fs-01 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -382.75370670; eV | |||
 | 1-Mar-2022 | Co-4O-600K_10ps_1fs-02 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -382.95324188; eV | |||
 | 1-Mar-2022 | Co-4O-600K_10ps_1fs-03 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -382.59008604; eV | |||
 | 1-Mar-2022 | Co-4O-600K_10ps_1fs-04 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -382.30302297; eV | |||
 | 1-Mar-2022 | Co-4O-600K_10ps_1fs-05 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -382.91486368; eV | |||
 | 1-Mar-2022 | Co-4O-600K_10ps_1fs-06 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -382.90859395; eV | |||
 | 1-Mar-2022 | Co-4O-600K_10ps_1fs-07 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -382.89468549; eV | |||
 | 1-Mar-2022 | Co-4O-600K_10ps_1fs-08 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -382.51598898; eV | |||
 | 1-Mar-2022 | Co-4O-600K_10ps_1fs-09 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -382.38025045; eV | |||
 | 1-Mar-2022 | Co-4O-600K_10ps_1fs-10 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -381.84205035; eV | |||
 | 1-Mar-2022 | Co-4O-600K_10ps_1fs-11 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -382.71074692; eV |