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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
![]() | NiO-v-2 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | - | - | -380.59168994; eV | ||
![]() | NiO-v-1 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | - | - | -383.71050019; eV | ||
![]() | NiO-v-3 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | - | - | -381.61395543; eV | ||
![]() | NiO-2 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | - | - | -389.68339593; eV | ||
![]() | NiO-3 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | - | - | -390.72633663; eV | ||
![]() | NiO-1 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | - | - | -392.97098793; eV | ||
![]() | Ni-6 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | - | - | -314.85086918; eV | ||
![]() | Ni-4 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | - | - | -315.38004246; eV | ||
![]() | Ni-5 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | - | - | -315.94067247; eV | ||
![]() | Ni-1 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | - | - | -316.31683063; eV | ||
![]() | Ni-2 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | - | - | -315.32672129; eV | ||
![]() | Ni-3 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | - | - | -316.44587120; eV | ||
![]() | Ni-7 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | - | - | -314.94560401; eV |
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