Browsing by Subject DFT
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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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22-Jul-2017 | SP_extradiol-product_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | ||||
22-Jul-2017 | SP_intradiol-product_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - |