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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
![]() | 3_u2o4_2py | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | u2o4_2oh_2py | Petrus, Enric | ADF; 2016 | PBE | TZP | - | ||
![]() | dimer_2pyr_spinorbit | Petrus, Enric | ADF; 2016 | SAOP | TZP | - | ||
![]() | dimer_2pyr_scalar | Petrus, Enric | ADF; 2016 | SAOP | TZP | - |
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