Browsing by Subject Speciation
Showing results 1 to 19 of 19
| 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 UO2(bihyat) | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -252.523067; eV | |||
 | 10-Oct-2023 | /bihyat VO2(bihyat) | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -224.445532; 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 | /enl _(VO2)2enl_ | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -347.730190; eV | |||
 | 10-Oct-2023 | /enl _UO2(H2O)2_2enl_ | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -403.868104; eV | |||
 | 10-Oct-2023 | /enl enl(4-) | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -300.891679; eV | |||
 | 10-Oct-2023 | H2VO4- | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -49.794665; 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 | /pdl _(UO2)(H2O)2_2pdl_ | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -438.629582; eV | |||
 | 10-Oct-2023 | /pdl _(VO2)2pdl_ | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -382.431155; eV | |||
 | 10-Oct-2023 | /pdl pdl(4-) | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -335.879394; 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 | /qtn _(UO2)(H2O)2(VO2)qtn_ | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -399.172153; 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 | UO2(H2O)5 | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -89.781751; eV | |||
 | 10-Oct-2023 | UO2(OH)3- | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -92.323039; eV | |||
 | 10-Oct-2023 | VO2(H2O)3 | Bandeira, Nuno | AMS; 2020.101; r89258 | Frequencies | PBEc revPBEx | - | -61.484557; eV |