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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jul-2020 | H2O_BP | Petrus, Enric | ADF; 2019 | Geometry optimization | BP86 | TZP | -0.52588766; Eh | |||
 | 24-Jul-2020 | H5O2_BP | Petrus, Enric | ADF; 2019 | Geometry optimization | BP86 | TZP | -1.01390186; Eh | |||
 | 24-Jul-2020 | H3O_BP | Petrus, Enric | ADF; 2019 | Geometry optimization | BP86 | TZP | -0.46362526; Eh | |||
 | 4-Jan-2022 | Pyridine | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | DZP; TZP | - | |||
 | 4-Jan-2022 | CeYbYb | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | |||
 | 4-Jan-2022 | CeHoCe | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | |||
 | 4-Jan-2022 | LaErLa | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | |||
 | 4-Jan-2022 | ErErEr | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | |||
 | 4-Jan-2022 | LaLaLa | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | |||
 | 4-Jan-2022 | CeLuLu | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - |
Results 91-100 of 199 (Search time: 0.003 seconds).
Discover
Subject
Calculation type