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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Feb-2018 | Pd_TS-2Hto2HH | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -625.05875484; eV | |||
| 22-Feb-2018 | Pt_TS-2HHto3HH | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -679.45638096; eV | |||
| 22-Feb-2018 | Pd_TS-3Cto4C | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Improved Dimer Method | - | - | -626.20438050; eV | |||
| 22-Feb-2018 | Pd_TS-3Hto3HH | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -625.78724891; eV | |||
| 22-Feb-2018 | Pt_TS-2Hto3H | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -679.59852384; eV | |||
| 22-Feb-2018 | Pd_3C | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -626.83425572; eV | |||
| 22-Feb-2018 | Pt_2H | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -680.27963029; eV | |||
| 22-Feb-2018 | Pt_TS-2Hto2HH | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -678.99311277; eV | |||
| 22-Feb-2018 | Pt_TS-3Hto4H | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -680.29220077; eV | |||
| 22-Feb-2018 | Pt_TS-1to2C | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -678.75586004; eV |
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