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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Nov-2019 | Complex_12_IS_pbe | Vlahovic, Filip | ADF; 2013; 01 | Single point Quild | DFT | TZ2P | - | |||
 | 11-Nov-2019 | Complex_13_IS_pbe | Vlahovic, Filip | ADF; 2013; 01 | Single point Quild | DFT | TZ2P | - | |||
 | 11-Nov-2019 | Complex_9_HS_pbe | Vlahovic, Filip | ADF; 2013; 01 | Single point Quild | DFT | TZ2P | - | |||
 | 11-Nov-2019 | Complex_9_HS_lda | Vlahovic, Filip | ADF; 2013; 01 | Single point Quild | DFT | TZ2P | - | |||
 | 11-Nov-2019 | Complex_8_HS_pbe | Vlahovic, Filip | ADF; 2013; 01 | Single point Quild | DFT | TZ2P | - | |||
 | 11-Nov-2019 | Complex_2_HS_pbe | Vlahovic, Filip | ADF; 2013; 01 | Single point Quild | DFT | TZ2P | - | |||
 | 11-Nov-2019 | Complex_1_HS_pbe | Vlahovic, Filip | ADF; 2013; 01 | Single point Quild | DFT | TZ2P | - | |||
 | 11-Nov-2019 | Complex_11_IS_lda | Vlahovic, Filip | ADF; 2013; 01 | Single point Quild | DFT | TZ2P | - | |||
 | 11-Nov-2019 | Complex_10_HS_lda | Vlahovic, Filip | ADF; 2013; 01 | Single point Quild | DFT | TZ2P | - | |||
 | 18-Nov-2019 | Ti_d5d_Cp2 | Vlahovic, Filip | ADF; 2013; 01 | Single point | DFT | TZP | - |
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