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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 13-Oct-2026 | 3a1 | Apaloo-Messan, Edmond | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | b3lyp | 6-31G(D) LANL2DZ GENECP | -6521.72315618; Eh | ||||
| 13-Oct-2026 | 3b1 | Apaloo-Messan, Edmond | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | b3lyp | 6-31G(D) LANL2DZ GENECP | -6521.72381230; Eh |
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- 748 Reaction mechanisms
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- 684 Homogeneous catalysis
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- 310 C-H activation
- 294 Imine Condensation
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