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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Mar-2022 | np_on_111-pt_ads-bdry | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Geometry optimization | DFT | - | -4284.68003694; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_28_34_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.76867290; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_28_30_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.56625040; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_29_30_33-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.94191181; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_29_34_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.68576178; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_29_34_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.68522479; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_28_32_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.57029364; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_29_32_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.71723244; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-surfvac-2ce3-pos_33_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -844.42515054; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_28_32_34-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.70463283; eV |
Results 23221-23230 of 101944 (Search time: 0.013 seconds).
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- 13581 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4232 Conformation analysis
- 4232 Electrochemical CO₂ reduction
- 4232 N-Oxides
- 3914 Copper
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