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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_TS-1to2H | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -679.28997639; eV | ||||
22-Feb-2018 | Pd_2C | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -625.53399161; eV | ||||
22-Feb-2018 | Pt_3C | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -680.40086667; eV | ||||
22-Feb-2018 | Pt_4C | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -681.95766016; eV | ||||
22-Feb-2018 | Pd_4C | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -627.78130926; eV | ||||
22-Feb-2018 | Pt_1 | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -679.96857697; 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-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-1to2C | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -678.75586004; eV | ||||
22-Feb-2018 | Pd_3H | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -626.65218998; eV |
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- 128 alloys
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