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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Oct-2023 | H2VO4- | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -49.794665; eV | |||
 | 10-Oct-2023 | UO2(OH)3- | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -92.323039; eV | |||
 | 10-Oct-2023 | /pdl _(UO2)(H2O)2(VO2)_pdl_ | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -410.513841; eV | |||
 | 10-Oct-2023 | /qtn _(UO2)(H2O)2(VO2)qtn_ | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -399.172153; eV | |||
 | 10-Oct-2023 | /enl _(UO2)(H2O)2(VO2)enl_ | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -375.773018; eV | |||
 | 10-Oct-2023 | /pdl _(VO2)2pdl_ | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -382.431155; eV | |||
 | 10-Oct-2023 | /enl _(VO2)2enl_ | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -347.730190; eV | |||
 | 10-Oct-2023 | /bihyat VO2(bihyat) | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -224.445532; eV | |||
 | 10-Oct-2023 | /bihyat UO2(bihyat) | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -252.523067; eV | |||
 | 10-Oct-2023 | /pdl pdl(4-) | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -335.879394; eV |
Results 1-10 of 74 (Search time: 0.002 seconds).
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Subject
- 55 Redox chemistry
- 19 Speciation
- 19 Uranium
- 19 Uranyl
- 19 Vanadium
- 19 Vanadyl
- 16 Polyoxometalates
- 16 Redox Potential
Calculation type
Method
- 55 PBE
- 19 PBEc revPBEx