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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Feb-2026 | Cz_TDDFT | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-31G(D) | -2425.36930718; Eh | |||
 | 5-Feb-2026 | Cz_triplet | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | 6-31G(D) | -2425.48266168; Eh | |||
 | 5-Feb-2026 | Cz_radical | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | 6-31G(D) | -2425.48266168; Eh | |||
 | 5-Feb-2026 | Cz | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | 6-31G(D) | -2425.37788096; Eh | |||
 | 5-Feb-2026 | int5 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GENECP | -2648.67339753; Eh | |||
 | 5-Feb-2026 | int3 | Li, Yingzi | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GENECP | -2299.63767176; Eh | |||
 | 5-Feb-2026 | int1 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | GENECP | -2299.80097990; Eh | |||
 | 5-Feb-2026 | int2 | Li, Yingzi | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | GENECP | -2299.79757068; Eh | |||
 | 5-Feb-2026 | int4 | Li, Yingzi | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GENECP | -2111.04458346; Eh | |||
 | 5-Feb-2026 | int7 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | GENECP | -2648.80072584; Eh |
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