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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
22-Aug-2018 | /xps/Co_Cu3 130 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.43860196; eV | ||||
22-Aug-2018 | /xps/Co_Cu3 132 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.57158762; eV | ||||
22-Aug-2018 | /xps/Co_Cu3 134 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.51163458; eV | ||||
22-Aug-2018 | /xps/Co_Cu3 133 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.58386728; eV | ||||
22-Aug-2018 | /xps/Co_Cu3 135 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -907.79403094; eV | ||||
22-Aug-2018 | /xps/Co_Cu3 136 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.58379761; eV | ||||
22-Aug-2018 | /xps/Co_Cu3 137 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.40413028; eV | ||||
22-Aug-2018 | /ads_Co_OH2 bh3nh3 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -887.54403886; eV | ||||
22-Aug-2018 | /xps/Co_Cu3 138 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.49350165; eV | ||||
22-Aug-2018 | /xps/Co_Cu3 139 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.49160607; eV |
Results 381-390 of 403 (Search time: 0.002 seconds).