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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Jul-2023 | pristine-3xN6-Ni-4xN6-8.18_18 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -1966.84523123; eV | |||
 | 1-Jul-2023 | Pd-4xN6-Ni-4xN6-6.51_14 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1962.16358774; eV | |||
 | 1-Jul-2023 | pristine-3xN6-Ni-4xN6-8.18_19 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -1966.80043704; eV | |||
 | 1-Jul-2023 | pristine-3xN6-Pd-4xN6-3.55_01 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -1965.14126510; eV | |||
 | 1-Jul-2023 | Pd-4xN6-Ni-4xN6-6.51_13 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1962.67892628; eV | |||
 | 1-Jul-2023 | pristine-3xN6-Pd-4xN6-5.81_08 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -1969.53893388; eV | |||
 | 1-Jul-2023 | pristine-3xN6-Pd-4xN6-5.54_07 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -1965.84653784; eV | |||
 | 1-Jul-2023 | pristine-3xN6-Pd-4xN6-4.97_05 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -1966.11170586; eV | |||
 | 1-Jul-2023 | pristine-3xN6-Pd-4xN6-6.06_09 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -1965.73245862; eV | |||
 | 1-Jul-2023 | pristine-3xN6-Pd-4xN6-4.65_04 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -1966.24812258; eV |
Results 30621-30630 of 103542 (Search time: 0.02 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 >