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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-4ce3-pos_29_31_34_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.51346680; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-4ce3-pos_30_31_33_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.73175954; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-4ce3-pos_29_34_35_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.69595902; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-4ce3-pos_30_32_33_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.60385739; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-4ce3-pos_29_31_35_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.49346454; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-4ce3-pos_29_30_34_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.51537698; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-4ce3-pos_29_30_32_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.57727849; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-4ce3-pos_29_30_33_34-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.41851039; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-4ce3-pos_29_30_33_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.58572324; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-4ce3-pos_29_31_33_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.45077367; eV |
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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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