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 Pt-4O-surfvac-3ce3-pos_28_34_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.44963979; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_29_31_33-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.90675564; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-surfvac-2ce3-pos_32_35-k3x3 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -844.74535513; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_28_31_33-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.78974452; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_29_31_32-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.56474337; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-surfvac-2ce3-pos_32_34-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -844.62217875; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-surfvac-2ce3-pos_31_33-k3x3 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -844.73612470; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_28_30_34-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.82119463; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_29_30_31-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.87336246; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-surfvac-2ce3-pos_31_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -844.76001457; eV |
Results 22631-22640 of 101953 (Search time: 0.015 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 >