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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 16-Jul-2024 | /M_Fe_N_din4_x2/M_Fe_N_din4_x2_c2_c/Co_Fe_N_din4_x2_c2_c dos | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -632.58628937; eV | ||||
| 16-Jul-2024 | /M_Fe_N_din4_x2/M_Fe_N_din4_x2_c4_f/Ni_Fe_N_din4_x2_c4_f dos | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -612.14028583; eV | ||||
![]() | 2-Jul-2025 | /recons/Cu_recon Cu_recon | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -103.41329688; eV | |||
![]() | 2-Jul-2025 | /surf/slab_100/corr/OCCO OCCO | Benzidi, Hind | vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex | Single point | DFT | - | -481.32161232; eV | |||
![]() | 2-Jul-2025 | /surf/slab_100/corr/H H | Benzidi, Hind | vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex | Single point | DFT | - | -514.56405949; eV | |||
![]() | 2-Jul-2025 | /recons/v_o4/test test | Benzidi, Hind | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 12:22:38) complex | Single point | DFT | - | -1777.25850785; eV | |||
![]() | 2-Jul-2025 | /recons/v_o4 v_o4 | Benzidi, Hind | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 12:22:38) complex | Single point | DFT | - | -1736.45100251; eV | |||
![]() | 2-Jul-2025 | /surf/slab_011 slab_011 | Benzidi, Hind | vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex | Single point | DFT | - | -505.33882060; eV | |||
![]() | 2-Jul-2025 | /surf/slab_001 slab_001 | Benzidi, Hind | vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex | Single point | DFT | - | -511.76036574; eV | |||
![]() | 2-Jul-2025 | /recons recons | Benzidi, Hind | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 12:22:38) complex | Single point | DFT | - | -1719.74354653; eV |
Results 2961-2970 of 100263 (Search time: 0.004 seconds).
Discover
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
- next >
