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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Oct-2023 | /bihyat bihyat(2-) | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -201.108273; 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 | /qtn _(VO2)2qtn_ | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -371.068834; eV | |||
 | 10-Oct-2023 | /qtn qtn(4-) | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -324.790203; 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 | /qtn _(UO)2(H2O)2_2qtn_ | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -427.277244; eV | |||
 | 10-Oct-2023 | /enl _(VO2)2enl_ | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -347.730190; eV | |||
 | 10-Oct-2023 | /enl enl(4-) | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -300.891679; eV | |||
 | 10-Oct-2023 | /enl _(UO2)(H2O)2(VO2)enl_ | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -375.773018; eV |
Results 1-10 of 19 (Search time: 0.001 seconds).
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Subject
- 19 Speciation
- 19 Uranium
- 19 Uranyl
- 19 Vanadyl
Calculation type
- 19 Frequencies
Method
- 19 PBEc revPBEx