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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2017 | Linker_pent_opt | Melgar, Dolores | ADF; 2012; 01 | Geometry optimization | DFT | TZP | - | |||
 | 27-Mar-2017 | Linker_opt | Melgar, Dolores | ADF; 2012; 01 | Geometry optimization | DFT | TZP | - | |||
 | 27-Mar-2017 | pore_optimization | Melgar, Dolores | ADF; 2010; 01 | Geometry optimization | DFT | TZP | -860.55692039; eV | |||
 | 27-Mar-2017 | Pentagon_opt | Melgar, Dolores | ADF; 2010; 01 | Geometry optimization | DFT | TZP | -242.53610607; eV | |||
 | 27-Mar-2017 | linker_pentagon_opt | Melgar, Dolores | ADF; 2012; 01 | Geometry optimization | DFT | TZP | - | |||
 | 27-Mar-2017 | Mo7O24_opt | Melgar, Dolores | ADF; 2010; 01 | Geometry optimization | DFT | TZP | -276.35762982; eV | |||
 | 20-Sep-2019 | andersontype1_Prod | Mateo, Ana | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
| 20-Sep-2019 | andersontype2_Prod1 | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - | |||
| 20-Sep-2019 | andersontype2_Prod2 | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - | |||
| 20-Sep-2019 | andersontype2 | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - |
Results 1-10 of 654 (Search time: 0.002 seconds).