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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Feb-2018 | Pt_3HH | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -680.66827222; eV | |||
| 22-Feb-2018 | Pd_4H | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -627.51227416; eV | |||
| 22-Feb-2018 | Pd_TS-2HHto3HH | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -625.10792080; eV | |||
| 22-Feb-2018 | Pd_TS-2Cto3C | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -625.31690834; eV | |||
| 22-Feb-2018 | Pd_TS-2Hto3H | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Improved Dimer Method | - | - | -625.67787695; eV | |||
| 22-Feb-2018 | Pd_TS-1to2H | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Improved Dimer Method | - | - | -625.23146634; eV | |||
| 22-Feb-2018 | Pt_TS-2Cto3C | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -679.25249508; eV | |||
| 22-Feb-2018 | Pt_TS-3Cto4C | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -680.17127030; eV | |||
| 22-Feb-2018 | Pd_TS-3Hto4H | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -626.34973524; eV | |||
| 22-Feb-2018 | Pd_2H | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -626.29750648; eV |
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