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_31_33_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.66731600; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-4ce3-pos_28_30_31_33-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.70130564; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-4ce3-pos_28_31_33_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.46003126; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-4ce3-pos_28_30_31_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.34139604; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-4ce3-pos_28_29_33_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.29029673; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-4ce3-pos_28_29_35_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -849.98797014; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_33_34_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.93316294; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_31_32_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.70962783; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_31_32_33-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -851.01108438; eV | |||
 | 4-Aug-2022 | /Sampling Pt-4O-surfvac-3ce3-pos_30_34_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -850.53116684; eV |
Results 22591-22600 of 101953 (Search time: 0.014 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 >