Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Mar-2022 | b110_surf-peroxo-cov_075-pt_ads-xps-o49 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -731.35999411; eV | |||
 | 12-Mar-2022 | b110_surf-peroxo-cov_075-pt_ads-xps-o44 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -730.72967993; eV | |||
 | 12-Mar-2022 | b110_surf-peroxo-cov_075-pt_ads-xps-o51 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -733.08000858; eV | |||
 | 12-Mar-2022 | b110_surf-peroxo-cov_075-pt_ads-xps-o47 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -732.53910533; eV | |||
 | 12-Mar-2022 | b110_surf-peroxo-cov_100-geo_opt-xps-o45 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -731.62868490; eV | |||
 | 12-Mar-2022 | b110_surf-peroxo-cov_100-geo_opt-xps-o46 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -729.22755037; eV | |||
 | 12-Mar-2022 | b110_surf-peroxo-cov_100-geo_opt-xps-o49 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -729.84780266; eV | |||
 | 3-Mar-2022 | c100_surf-peroxo-cov_050_diag-pt_ads | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -394.46393675; eV | |||
 | 3-Mar-2022 | c100_surf-peroxo-cov_050_row-geo_opt | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -388.65957473; eV | |||
 | 3-Mar-2022 | c100_surf-peroxo-cov_050_row-pt_ads | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -394.45373753; eV |
Results 62581-62590 of 104471 (Search time: 0.037 seconds).
Discover
Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
- next >