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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Aug-2022 | /Sampling pris-2O-surfvac-2ce3_subspol-pos_26_27-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -844.09769995; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-surfvac-2ce3_subspol-pos_25_26-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -844.10534211; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-surfvac-2ce3_subspol-pos_24_25-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -844.35255628; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-surfvac-2ce3_subspol-pos_23_24-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -844.30030540; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-surfvac-2ce3_subspol-pos_23_26-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -844.16487857; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-surfvac-2ce3_subspol-pos_22_25-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -844.37584707; eV | |||
 | 4-Aug-2022 | /Sampling pris-4O-bulkvac-2ce3-pos_32_33-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -842.50382123; eV | |||
 | 4-Aug-2022 | /Sampling pris-4O-bulkvac-2ce3-pos_28_30-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -842.19985106; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-surfvac-2ce3_subspol-pos_24_26-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -844.31460397; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-surfvac-2ce3_subspol-pos_22_23-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -844.29911533; eV |
Results 62381-62390 of 104445 (Search time: 0.035 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 >