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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Feb-2026 | CO2 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | 6-31G(D) | -188.584381646; Eh | |||
 | 5-Feb-2026 | 3‘ | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -1215.6663057; Eh | |||
 | 12-Mar-2026 | int1_DCM | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -8007.7037595; Eh | |||
 | 12-Mar-2026 | TS2e | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -6627.6233875; Eh | |||
 | 12-Mar-2026 | int1e | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -6088.3352314; Eh | |||
 | 12-Mar-2026 | Anthracene5 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -539.3004108; Eh | |||
 | 12-Mar-2026 | TS1e | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -1227.8153646; Eh | |||
 | 12-Mar-2026 | 1c5 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -1227.8694733; Eh | |||
 | 12-Mar-2026 | DCM | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -959.6790207; Eh | |||
 | 12-Mar-2026 | int1 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -6088.2755267; Eh |
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- 294 Imine Condensation
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