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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Oct-2017 | /2V/V_Oxidation/V2_O2/V2_O2_0_2/SP SP | González Fabra, Joan | ADF; 2016 | Single point | DFT | TZ2P | - | |||
 | 29-Mar-2017 | NR-fragsNb | Serapian, Stefano | ADF; 2016 | Single point | DFT | - | - | |||
 | 29-Mar-2017 | NR-fragsNb_Region1 | Serapian, Stefano | ADF; 2016 | Single point | DFT | TZP | - | |||
 | 29-Mar-2017 | NR-fragsNb_Region2 | Serapian, Stefano | ADF; 2016 | Single point | DFT | TZP | - | |||
 | 29-Mar-2017 | Frags_Nb_region1 | Serapian, Stefano | ADF; 2016 | Single point | DFT | TZP | - | |||
 | 29-Mar-2017 | Frags_Nb_region2 | Serapian, Stefano | ADF; 2016 | Single point | DFT | TZP | - | |||
 | 29-Mar-2017 | fragsNb | Serapian, Stefano | ADF; 2016 | Single point | DFT | - | - | |||
 | 29-Mar-2017 | NR-fragsTa | Serapian, Stefano | ADF; 2016 | Single point | DFT | - | - | |||
 | 29-Mar-2017 | fragsTa | Serapian, Stefano | ADF; 2016 | Single point | DFT | - | - | |||
 | 24-Jul-2020 | Mo_2OH_2H2O_watercluster | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - |
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