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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Apr-2024 | D1-1a | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2245.3596462; Eh | |||
 | 30-Apr-2024 | B-1a | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -1456.0459921; Eh | |||
 | 30-Apr-2024 | C-1a | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -1455.8924423; Eh | |||
 | 30-Apr-2024 | HFIPradical | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -789.2078654; Eh | |||
 | 30-Apr-2024 | OTFAanion | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -526.3710256; Eh | |||
 | 30-Apr-2024 | HFIP | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -789.8693212; Eh | |||
 | 5-Nov-2025 | substrate-1f | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | DEF2TZVP | -714.2152464; Eh | |||
 | 5-Nov-2025 | III-1f | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | DEF2TZVP | -914.2763047; Eh | |||
 | 5-Nov-2025 | I-1a-MeOAc | Díaz-Ruiz, Marina | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RM062X | DEF2TZVP | -910.9192049; Eh | |||
 | 2-May-2024 | subs4-triplet-flat | Solé Daura, Albert | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GEN | -769.837295293; Eh |
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- 748 Reaction mechanisms
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- 529 Copper
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- 294 Imine Condensation
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