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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Oct-2026 | Complex_3_5 | Escobar, Luis; Amine, Fatima | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | b3lyp | 6-31G(D,P) | -5900.91111200; Eh | |||
| 26-Oct-2026 | Complex_3b_4 | Escobar, Luis; Amine, Fatima | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | b3lyp | 6-31G(D,P) | -5591.16129376; Eh | |||
| 26-Oct-2026 | Complex_3a_4 | Escobar, Luis; Amine, Fatima | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | b3lyp | 6-31G(D,P) | -5591.14282339; Eh |
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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
- 3954 Copper
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