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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
11-Feb-2016 | Pd2 | García, Rodrigo | vasp; 5.2.12; 11Nov11 complex | Ab-Initio Molecular Dynamics | - | - | -1072.241146; eV | ||||
11-Feb-2016 | Pd4 | García, Rodrigo | vasp; 5.2.12; 11Nov11 complex | Ab-Initio Molecular Dynamics | - | - | -1604.358265; eV | ||||
11-Feb-2016 | Pt4c | García, Rodrigo | vasp; 5.2.12; 11Nov11 complex | Ab-Initio Molecular Dynamics | - | - | -1705.636112; eV | ||||
11-Feb-2016 | Pt8c | García, Rodrigo | vasp; 5.2.12; 11Nov11 complex | Ab-Initio Molecular Dynamics | - | - | -2771.361800; eV | ||||
11-Feb-2016 | Pd8c | García, Rodrigo | vasp; 5.2.12; 11Nov11 complex | Ab-Initio Molecular Dynamics | - | - | -2674.717874; eV | ||||
11-Feb-2016 | Pd4c | García, Rodrigo | vasp; 5.2.12; 11Nov11 complex | Ab-Initio Molecular Dynamics | - | - | -1609.755411; eV | ||||
11-Feb-2016 | Pt4 | García, Rodrigo | vasp; 5.2.12; 11Nov11 complex | Ab-Initio Molecular Dynamics | - | - | -1699.682307; eV | ||||
11-Feb-2016 | Pt2 | García, Rodrigo | vasp; 5.2.12; 11Nov11 complex | Ab-Initio Molecular Dynamics | - | - | -1169.198165; eV | ||||
11-Feb-2016 | Ru2 | García, Rodrigo | vasp; 5.2.12; 11Nov11 complex | Ab-Initio Molecular Dynamics | - | - | -1731.773787; eV | ||||
11-Feb-2016 | Ru8c | García, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Ab-Initio Molecular Dynamics | - | - | -3341.83738820; eV |
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