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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Oct-2021 | /dicopper diCu_Dalt_uv | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 4-Oct-2021 | /dicopper diCu_F_frq | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 4-Oct-2021 | /dicopper diCu_F_uv | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 4-Oct-2021 | /dicopper diCu_E_asym_frq | Swart, Marcel | ADF; 2019; 304 | Single point | 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(III)OCl(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 | - | |||
 | 28-Apr-2023 | Ru(V)=O(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(II)BnTPEN | Ahsan, Faiza | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - |
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