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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/Co-In2O3 Co-In₂O₃-i34 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1117.18384853; eV | ||||
| 29-Nov-2021 | /Profiles/Co-In2O3 Co-In₂O₃-i21 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1108.23710487; eV | ||||
| 29-Nov-2021 | /Profiles/Co-In2O3 Co-In₂O₃-i36 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1101.14130415; eV | ||||
| 29-Nov-2021 | /Profiles/Ni-In2O3 Ni-In₂O₃-i01 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1099.15367084; eV | ||||
| 29-Nov-2021 | /Profiles/Co-In2O3 Co-In₂O₃-i17 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1124.43150152; eV | ||||
| 29-Nov-2021 | /Profiles/Co-In2O3 Co-In₂O₃-i16 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1124.26250026; eV | ||||
| 29-Nov-2021 | /Profiles/Co-In2O3 Co-In₂O₃-i14 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1115.46126011; eV | ||||
| 29-Nov-2021 | /Profiles/Co-In2O3 Co-In₂O₃-i33 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1115.60086371; eV | ||||
| 29-Nov-2021 | /Profiles/Co-In2O3 Co-In₂O₃-i15 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1116.23191571; eV | ||||
| 29-Nov-2021 | /Profiles/Co-In2O3 Co-In₂O₃-i07 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1099.85203791; eV |
Results 71081-71090 of 104445 (Search time: 0.042 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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