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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/InPd/CO₂-InPd-configurations CO₂-InPd-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -425.42400117; eV | |||
 | 2-May-2023 | /Adsorptions/InPd/CO₂-InPd-configurations CO₂-InPd-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -425.47801274; eV | |||
 | 2-May-2023 | /Adsorptions/InPd/CO₂-InPd-configurations CO₂-InPd-conf3 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -425.47488976; eV | |||
 | 2-May-2023 | /Adsorptions/InPd/CO₂-InPd-configurations CO₂-InPd-conf5 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -425.42005992; eV | |||
 | 2-May-2023 | /Adsorptions/InPd/CO₂-InPd-configurations CO₂-InPd-conf2 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -425.52344005; eV | |||
 | 2-May-2023 | /Adsorptions/InPd/H₂-InPd-configurations H₂-InPd-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -408.86926164; eV | |||
 | 2-May-2023 | /Adsorptions/InPd/H₂-InPd-configurations H₂-InPd-conf2 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -407.97671729; eV | |||
 | 2-May-2023 | /Adsorptions/InPd₂ H₂-InPd₂ | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -449.53778576; eV | |||
 | 2-May-2023 | /Adsorptions/InPd₂ CO-InPd₂ | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -458.15830992; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-InPd₂/H₂-In₈O₁₀-InPd₂-configurations H₂-In₈O₁₀-InPd₂-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -541.40036899; eV |
Results 30211-30220 of 101953 (Search time: 0.019 seconds).
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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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