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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_d1/Pd_sq_C5P2_d1 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -638.82141394; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_d1/Ru_sq_C5P2_d1 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -643.19225400; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P3/Zn_sq_C5P3 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -629.17132263; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P3/Rh_sq_C5P3 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -636.60655805; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_s1/Co_sq_C5P2_s1 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -641.32498778; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_s1/Co_sq_C5P2_s1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -640.50875108; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_d2/Ir_sq_C5P2_d2 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -641.50321436; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_d2/Ni_sq_C5P2_d2 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -639.09539658; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_s1/Cu_sq_C5P2_s1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -636.95850385; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_d2/Zn_sq_C5P2_d2 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -634.72397693; eV |
Results 51741-51750 of 104124 (Search time: 0.034 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 >