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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 Ni-5-6 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1098.74606547; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Ni-5-7 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1098.32554314; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Ni-6-7 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1098.32200319; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pd-1-1 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1098.23254282; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pd-1-2 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1098.04858730; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pd-1-3 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1097.97995936; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pd-2-3 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1097.96621898; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pd-2-4 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1097.92169136; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pd-3-4 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1098.19521700; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pd-4-4 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1097.87903394; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pd-5-5 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1097.72703761; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pd-5-6 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1097.91441988; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pd-5-7 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1097.72289369; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pd-6-7 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1097.70157322; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pt-1-1 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1099.13127391; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pt-1-2 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1098.47275963; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pt-1-3 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1098.20256074; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pt-2-3 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1099.07322790; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pt-2-4 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1098.78971718; eV | |||
 | 29-Nov-2021 | /Adatoms/Bridge Pt-3-4 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1098.64489803; eV |