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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/Top Au-6 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1095.82654803; eV | ||||
| 29-Nov-2021 | /Adatoms/Top Au-5 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1095.90831217; eV | ||||
| 29-Nov-2021 | /Adatoms/Top Au-7 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1096.22424763; eV | ||||
| 29-Nov-2021 | /Adatoms/Three-fold Pd-1-2-1 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1097.92695625; eV | ||||
| 29-Nov-2021 | /Adatoms/Three-fold Pt-1-2-1 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1098.68734191; eV | ||||
| 29-Nov-2021 | /Adatoms/Three-fold Ni-1-1-1 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1098.93369202; eV | ||||
| 29-Nov-2021 | /Adatoms/Three-fold Ir-1-2-1 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1100.16540720; eV | ||||
| 29-Nov-2021 | /Adatoms/Three-fold Ag-1-2-3 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1096.50274155; eV | ||||
| 29-Nov-2021 | /Adatoms/Three-fold Pd-2-3-4 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1097.77933408; eV | ||||
| 29-Nov-2021 | /Adatoms/Three-fold Ag-1-2-1 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1096.75854545; eV |
Results 31951-31960 of 104512 (Search time: 0.02 seconds).
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Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
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