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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-3ce3-pos_29_31_32-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.44972307; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-3ce3-pos_30_33_34-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.30476893; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-3ce3-pos_28_31_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.56614894; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-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 | - | -850.66272168; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-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 | - | -850.46962666; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-3ce3-pos_29_30_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.09389493; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-2ce3-pos_34_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.39600560; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-2ce3-pos_29_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.42564403; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-3ce3-pos_28_29_30-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.38922811; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-3ce3-pos_28_32_34-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.63223133; eV |
Results 23051-23060 of 101944 (Search time: 0.11 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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