ArticleThe journal of physical chemistry. A2025

Spin-Orbit Coupling and Admixture Coefficients in SA-CASSCF and MS-CASPT2, and Triplet Excitation Yield Simulated via Trajectory Surface Hopping and Calibrated SA-CASSCF in 1,2-Dioxetane Derivatives.

Jian-Ge Zhou et al.PubMed ↗Full text ↗Publisher ↗

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