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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-4O-surfvac-4ce3-pos_29_30_32_33-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.61597281; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-4ce3-pos_29_31_32_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.03613676; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-4ce3-pos_29_30_34_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.21140101; eV | |||
 | 3-Mar-2022 | high_index-221-pt_ads-1x2 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1071.51089420; eV | |||
 | 3-Mar-2022 | high_index-310-pt_ads-1x2 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1008.01275325; eV | |||
 | 3-Mar-2022 | high_index-310-pt_ads-1x1 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -506.39629820; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-4ce3-pos_29_30_31_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.49667430; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-4ce3-pos_28_29_30_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.11461283; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-4ce3-pos_28_29_34_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.59999983; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-4ce3-pos_29_31_32_34-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -849.84876641; eV |
Results 23171-23180 of 101944 (Search time: 0.012 seconds).
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Subject
- 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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