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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-May-2023 | /Adsorptions/In₄O₅-InPd₂/H₂-In₄O₅-InPd₂ H₂-In₄O₅-InPd₂-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -495.25966639; eV | |||
 | 2-May-2023 | /Adsorptions/In₄O₅-InPd₂/H₂-In₄O₅-InPd₂ H₂-In₄O₅-InPd₂-conf2 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -495.20553241; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-Pd/H₂-In₆O₇-Pd-configurations H₂-In₆O₇-Pd-conf5 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -569.54217172; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-Pd/H₂-In₆O₇-Pd-configurations H₂-In₆O₇-Pd-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -569.12080305; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-Pd/H₂-In₆O₇-Pd-configurations H₂-In₆O₇-Pd-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -569.29477614; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-Pd/H₂-In₆O₇-Pd-configurations H₂-In₆O₇-Pd-conf3 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -569.11722061; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-Pd/H₂-In₆O₇-Pd-configurations H₂-In₆O₇-Pd-conf2 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -569.29600006; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-Pd/H₂-In₆O₇-Pd-configurations H₂-In₆O₇-Pd-conf6 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -569.01351489; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-Pd/CO-In₆O₇-Pd-configurations CO-In₆O₇-Pd-conf2 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -577.48004564; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-Pd/CO-In₆O₇-Pd-configurations CO-In₆O₇-Pd-conf3 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -577.41575531; eV |
Results 50041-50050 of 104124 (Search time: 0.03 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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