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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
23-Jul-2021 | FL_dianion | Espiñeira, Paula | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | ||||
23-Jul-2021 | FL | Espiñeira, Paula | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | ||||
23-Jul-2021 | 27sulfoneFL-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 | 4C7SFL-OH | Espiñeira, Paula | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | ||||
23-Jul-2021 | 27CFL-OH | Espiñeira, Paula | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | ||||
23-Jul-2021 | FL-OH | Espiñeira, Paula | ADF; 2016 | Geometry optimization | PBE | TZ2P | - |
Results 1-7 of 7 (Search time: 0.001 seconds).