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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Nov-2025 | TS1-1f | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM062X | DEF2TZVP | -914.1288595; 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 | |||
 | 12-Mar-2026 | int1a | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -6088.3088526; Eh | |||
 | 12-Mar-2026 | TS2a | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -6627.5968861; Eh | |||
 | 12-Mar-2026 | TS2 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -6627.5582937; Eh | |||
 | 12-Mar-2026 | Anthraquinone1 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -688.541984; Eh | |||
 | 12-Mar-2026 | ZnCl2a | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2699.8648237; Eh | |||
 | 12-Mar-2026 | Anthracene1 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -539.2991475; Eh | |||
 | 12-Mar-2026 | TS1a | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -1227.8102812; Eh |
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- 748 Reaction mechanisms
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- 529 Copper
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- 327 Photocatalysis
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- 294 Imine Condensation
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