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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Feb-2026 | ts8_m06 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2647.8269752; Eh | |||
 | 5-Feb-2026 | 1 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | 6-31G(D) | -867.204653443; Eh | |||
 | 5-Feb-2026 | ts2 | Li, Yingzi | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UB3LYP | GENECP | -2299.62466382; Eh | |||
 | 5-Feb-2026 | ts3 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | UB3LYP | GENECP | -2648.63367589; Eh | |||
 | 5-Feb-2026 | ts1 | Li, Yingzi | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -2299.77426972; Eh | |||
 | 5-Feb-2026 | ts3‘ | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | UB3LYP | GENECP | -2648.63361084; Eh | |||
 | 5-Feb-2026 | 3 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | 6-31G(D) | -1216.23643420; Eh | |||
 | 5-Feb-2026 | 2 | Li, Yingzi | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | 6-31G(D) | -537.572813158; Eh | |||
 | 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 |
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