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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 29-Nov-2021 | /Profiles//Profiles In2O3-clean In₂O₃-i02 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1104.11118981; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In2MO4 Ni-2-2v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1081.68920518; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In2MO5 Ni-2-1v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1089.34175450; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In2MO4 Au-2-2v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1078.21684527; eV | ||||
| 29-Nov-2021 | /Adatoms/Three-fold Ru-5-6-7 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1099.81267254; eV | ||||
| 29-Nov-2021 | /Adatoms/Bridge Co-5-7 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1099.50567638; 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 Ru-6-7 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1100.17585840; 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 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 |
Results 28351-28360 of 103542 (Search time: 0.016 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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