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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Jun-2017 | Ag-2001 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -140.21300216; eV | ||||
21-Jun-2017 | Ag-2601 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -166.03502448; eV | ||||
21-Jun-2017 | Ag-2501 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -161.26976462; eV | ||||
21-Jun-2017 | Ag-2402 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -157.62007366; eV | ||||
21-Jun-2017 | Ag-2302 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -152.92514537; eV | ||||
21-Jun-2017 | Ag-2112 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -151.19200869; eV | ||||
21-Jun-2017 | Ag-2011 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -148.69136053; eV | ||||
21-Jun-2017 | Ag-2111 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -152.73640925; eV | ||||
21-Jun-2017 | Ag-2113 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -151.35678345; eV | ||||
21-Jun-2017 | Ag-1311 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -151.81288467; eV |
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- 924 Adsorption
- 924 Biomass
- 924 Cadmium
- 924 Ethanol
- 924 Ethylene glycol
- 924 Gold
- 924 Hydrogen
- 924 Iridium
- 924 Methanol
- 924 Microkinetic
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