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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Dec-2017 | C2H6-Pd(111) | Shahrokhi, Masoud | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -183.39841942; eV | |||
 | 1-Dec-2017 | CHCH2-Pd(111) | Shahrokhi, Masoud | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -175.25087195; eV | |||
 | 1-Dec-2017 | TS-HCCH2-C2H4-on-Pd(111) | Shahrokhi, Masoud | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -174.59258717; eV | |||
 | 1-Dec-2017 | C2H5-Pd(111) | Shahrokhi, Masoud | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -183.04556141; eV | |||
 | 1-Dec-2017 | C2H4-Pd(111) | Shahrokhi, Masoud | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -175.56063660; eV | |||
 | 1-Dec-2017 | H2-Pd(111) | Shahrokhi, Masoud | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -150.14850874; eV | |||
 | 1-Dec-2017 | C4H4-Pd(111) | Shahrokhi, Masoud | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -334.96272933; eV | |||
 | 1-Dec-2017 | CHCH2-Pd3S(202) | Shahrokhi, Masoud | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -271.13655746; eV | |||
 | 1-Dec-2017 | 2H-Pd3S(202) | Shahrokhi, Masoud | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -246.94334126; eV | |||
 | 1-Dec-2017 | 2H-Pd(111) | Shahrokhi, Masoud | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -151.03168724; eV |
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