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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Oct-2017 | /1V/TS_CC/Freq Freq | González Fabra, Joan | ADF; 2016 | Single point TS | DFT | TZ2P | - | |||
 | 20-Oct-2017 | /1V/TS-OV/Freq Freq-TS | González Fabra, Joan | ADF; 2016 | Single point TS | DFT | TZ2P | - | |||
 | 23-Oct-2017 | /Subs_Diol/Guess_TS Guess_TS | González Fabra, Joan | ADF; 2016 | Single point TS | DFT | TZ2P | - | |||
 | 23-Oct-2017 | /Subs_Diol/TS_CC/Freq Freq | González Fabra, Joan | ADF; 2016 | Single point TS | DFT | TZ2P | - | |||
 | 18-Oct-2017 | /2V/V_Oxidation/V2_O2/TS_O2_Triplet/Freq Freq | González Fabra, Joan | ADF; 2016 | Single point TS | DFT | TZP | - | |||
 | 18-Oct-2017 | /2V/V_Oxidation/V2_O2/TS_O2_Singlet/Freq Freq | González Fabra, Joan | ADF; 2016 | Single point TS | DFT | TZ2P | - | |||
 | 22-Jul-2018 | /ADF/ADF_P303/UO2_2NO3_2H2O UO2_2NO3_2H2O | Petrus, Enric | ADF; 2016 | Single point TS | DFT | TZP | - | |||
 | 22-Jul-2018 | /ADF/ADF_P303/UO2_OH_NO3_H2O UO2_OH_NO3_H2O | Petrus, Enric | ADF; 2016 | Single point TS | DFT | TZP | - | |||
 | 22-Jul-2018 | /ADF/ADF_P303/UO2_NO3_2H2O UO2_NO3_2H2O | Petrus, Enric | ADF; 2016 | Single point TS | DFT | TZP | - | |||
 | 27-Oct-2017 | /DFT/Pathway_2 TS2_1b | Bandeira, Nuno | ADF; 2016 | Single point TS | DFT | TZP; DZP | - |
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