Browsing by Author Ahsan, Faiza
Showing results 1 to 6 of 6
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Apr-2023 | Ru(II)BnTPEN | Ahsan, Faiza | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 28-Apr-2023 | Ru(II)MeTPEN | Ahsan, Faiza | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 28-Apr-2023 | Ru(III)OCl(BnTPEN) | Ahsan, Faiza | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 28-Apr-2023 | Ru(III)OCl(MeTPEN) | Ahsan, Faiza | ADF; 2019; 307 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 28-Apr-2023 | Ru(V)=O(BnTPEN) | Ahsan, Faiza | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 28-Apr-2023 | Ru(V)=O(MeTPEN) | Ahsan, Faiza | ADF; 2019; 307 | Single point Quild | S12g-x PBEc | TZ2P | - |