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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 Au-4O-surfvac-3ce3-pos_28_29_30-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -847.09897175; eV | |||
 | 4-Aug-2022 | /Sampling Au-4O-surfvac-3ce3-pos_29_30_31-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -847.22462700; eV | |||
 | 4-Aug-2022 | /Sampling Au-4O-surfvac-3ce3-pos_28_33_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -847.20541023; eV | |||
 | 4-Aug-2022 | /Sampling Au-4O-surfvac-3ce3-pos_28_32_33-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -846.94982956; eV | |||
 | 4-Aug-2022 | /Sampling Au-4O-surfvac-3ce3-pos_28_30_33-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -846.98283576; eV | |||
 | 4-Aug-2022 | /Sampling Au-4O-surfvac-3ce3-pos_29_32_34-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -847.11779716; eV | |||
 | 4-Aug-2022 | /Sampling Au-4O-surfvac-3ce3-pos_29_31_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -847.15210519; eV | |||
 | 16-Feb-2023 | /M_S_din6_as_c3_163/Co_S_din6_as_c3_163 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -610.88610158; eV | |||
 | 4-Aug-2022 | /Sampling Au-4O-surfvac-3ce3-pos_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 | - | -847.01079736; eV | |||
 | 4-Aug-2022 | /Sampling Au-4O-surfvac-3ce3-pos_29_30_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -847.11364726; eV |
Results 23631-23640 of 101944 (Search time: 0.013 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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