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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 5-Feb-2026 | ts4' | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -2648.77140216; Eh | ||||
| 5-Feb-2026 | ts4 | Li, Yingzi | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -2648.76499253; Eh | ||||
| 5-Feb-2026 | ts5 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -2648.75801932; Eh | ||||
| 5-Feb-2026 | ts6 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -2648.73225495; Eh | ||||
| 5-Feb-2026 | ts7 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -2648.75595502; Eh | ||||
| 5-Feb-2026 | ts8 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -2648.74596456; Eh | ||||
| 12-Mar-2026 | Anthracene | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -539.2828776; Eh | ||||
| 12-Mar-2026 | TS2 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -6627.5582937; Eh | ||||
| 12-Mar-2026 | int1 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -6088.2755267; Eh | ||||
| 12-Mar-2026 | Anthraquinone | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -688.5236828; Eh |
Results 11971-11980 of 12842 (Search time: 0.009 seconds).
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- 748 Reaction mechanisms
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- 294 Imine Condensation
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