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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
![]() | uo2_2no3_2h2o | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | Py | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | uo2_2no3_2py | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | 1_u2o4_o2 | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | 3_u2o4_2py | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | u2o4_2oh_4py | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | 3_u2o2oh2_4py | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | 3_u2o3oh_4py | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | h2o | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | uo2_2no3_h2o_oh_bidentate | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | uo2_2no3_h2o_oh_monodentate | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | u2o4_2oh_2py | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | no3 | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | hno3 | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | hpy | Petrus, Enric | ADF; 2016 | PBE | TZP | -2.59818599; Eh | ||
![]() | uo2_no3_oh_2py | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | uo2_no3_h2o_py_oh | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | 3_u2o4_o2 | Petrus, Enric | ADF; 2016 | PBE | TZP | - |
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