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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/InPd₂/CO-InPd₂-configurations CO-InPd₂-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -457.57694694; eV | |||
 | 2-May-2023 | /Adsorptions/InPd₂/CO-InPd₂-configurations CO-InPd₂-conf6 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -456.61982408; eV | |||
 | 2-May-2023 | /Adsorptions/InPd₂/CO-InPd₂-configurations CO-InPd₂-conf2 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -457.52858340; eV | |||
 | 2-May-2023 | /Adsorptions/In₄O₅-Pd/H₂-In₄O₅-Pd-configurations H₂-In₄O₅-Pd-conf3 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -547.88290989; eV | |||
 | 2-May-2023 | /Adsorptions/In₄O₅-Pd/H₂-In₄O₅-Pd-configurations H₂-In₄O₅-Pd-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -547.66658451; eV | |||
 | 2-May-2023 | /Adsorptions/In₄O₅-Pd/CO-In₄O₅-Pd-configurations CO-In₄O₅-Pd-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -555.83400536; eV | |||
 | 2-May-2023 | /Adsorptions/In₄O₅-Pd/CO-In₄O₅-Pd-configurations CO-In₄O₅-Pd-conf2 | 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/In₄O₅-Pd/CO-In₄O₅-Pd-configurations CO-In₄O₅-Pd-conf3 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -555.84657526; eV | |||
 | 2-May-2023 | /Adsorptions/In₄O₅-Pd/CO-In₄O₅-Pd-configurations CO-In₄O₅-Pd-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -555.72059870; eV | |||
 | 2-May-2023 | /Adsorptions/In₄O₅-Pd H₂-In₄O₅-Pd | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -547.88290989; 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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