Browsing by Subject Density Functional Approximations
Showing results 81 to 84 of 84
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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
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11-Nov-2019 | Complex_9_HS_lda | 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_s12g | Vlahovic, Filip | ADF; 2013; 01 | Single point Quild | DFT | TZ2P | - | ||||
11-Nov-2019 | Complex_9_HS_s12h | Vlahovic, Filip | ADF; 2016 | Single point Quild | DFT | TZ2P | - |