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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-Pd CO₂-In₄O₅-Pd | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -562.75602289; eV | |||
 | 2-May-2023 | /Adsorptions/In₄O₅-Pd CO-In₄O₅-Pd | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -555.86774771; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/CO-In₈O₁₀-Pd-configurations CO-In₈O₁₀-Pd-conf7 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -602.36648010; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/CO₂-In₆O₇-InPd₂ CO₂-In₆O₇-InPd₂-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -530.35152415; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/CO₂-In₆O₇-InPd₂ CO₂-In₆O₇-InPd₂-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -531.00583686; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/CO-In₆O₇-InPd₂ CO-In₆O₇-InPd₂-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -523.21469888; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/CO-In₆O₇-InPd₂ CO-In₆O₇-InPd₂-conf2 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -522.95778458; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/CO-In₆O₇-InPd₂ CO-In₆O₇-InPd₂-conf3 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -522.27432161; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd H₂-In₈O₁₀-Pd | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -594.75008927; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd CO₂-In₈O₁₀-Pd | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -609.90183378; eV |
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Subject
- 13581 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4232 Conformation analysis
- 4232 Electrochemical CO₂ reduction
- 4232 N-Oxides
- 3914 Copper
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