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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 29-Nov-2021 | /Oxygen-vacancy/In3MbrO5 Pd-1-1-1v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1091.21875771; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In2MO4 Ir-1-2v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1082.47596061; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In2MO3 Ni-2-3v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1074.25361207; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In2MO3 Pt-1-3v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1073.53715855; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In2MO5 Ag-2-1v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1085.40634339; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In2MO5 Ru-1-1v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1091.68969499; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In2MO4 Pt-1-2v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1080.57736574; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In2MO5 Pt-1-1v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1088.36331342; eV | ||||
| 29-Nov-2021 | /Adatoms/Three-fold Rh-5-6-7 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1098.44906193; 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 |
Results 28951-28960 of 103542 (Search time: 0.016 seconds).
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- 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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