Browsing by Author Espiñeira, Paula
Showing results 1 to 7 of 7
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jul-2021 | 27CFL-OH | Espiñeira, Paula | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | |||
 | 23-Jul-2021 | 27SFL-OH | Espiñeira, Paula | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | |||
 | 23-Jul-2021 | 27sulfoneFL-OH | Espiñeira, Paula | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | |||
 | 23-Jul-2021 | 4C7SFL-OH | Espiñeira, Paula | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | |||
 | 23-Jul-2021 | FL | Espiñeira, Paula | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | |||
 | 23-Jul-2021 | FL-OH | Espiñeira, Paula | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | |||
 | 23-Jul-2021 | FL_dianion | Espiñeira, Paula | ADF; 2016 | Geometry optimization | PBE | TZ2P | - |