Browsing by Author Morales-Vidal, Jordi
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Nov-2021 | /Adatoms/Bridge Ag-1-1 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1096.78499605; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Ag-1-2 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1096.78215957; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Ag-1-3 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1096.77379183; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Ag-2-3 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1096.54619931; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Ag-2-4 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1096.54532441; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Ag-3-4 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1096.54053888; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Ag-4-4 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1096.21903920; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Ag-5-5 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1095.66141622; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Ag-5-6 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1095.67604105; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Ag-5-7 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1095.63682679; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Ag-6-7 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1095.63212240; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Au-1-1 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1096.51632166; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Au-1-2 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1096.36811360; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Au-1-3 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1096.16405829; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Au-2-3 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1096.02154395; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Au-2-4 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1096.05960516; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Au-3-4 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | - | |||
 | 29-Nov-2021 | /Adatoms/Bridge Au-4-4 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1095.93657158; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Au-5-5 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1095.76703294; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Au-5-6 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1095.89652594; eV |