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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Sep-2022 | /L-cys_adsorption/Low_coverage (521)-L-cys | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -248.32990912; eV | |||
 | 6-Sep-2022 | /L-cys_adsorption/Low_coverage (520)-L-cys | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -255.95644556; eV | |||
 | 6-Sep-2022 | /L-cys_adsorption/Low_coverage (52-1)-L-cys | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -248.19417117; eV |
Results 21-23 of 23 (Search time: 0.002 seconds).
Discover
Calculation type
Method
- 23 DFT