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Author

Dao-Fu Yuan

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Sep 2026

Nuclear-Spin-Dependent Photodissociation Dynamics of H2S+ via the A 2A1(2, 9, 0) State

Nuclear spin symmetry imposes rigorous selection rules on the rotational levels accessible to molecules with identical nuclei, potentially influencing nonadiabatic dynamical pathways. Here, we investigate this role in the state-selected photodissociation of H2S+ via the A2A1 (2, 9, 0) state using time-sliced velocity...

Fu-Yan Wu, Peng Wang, Fan Li et al. · 0 citations
Sep 2026

Tuning the Frontier Molecular Orbitals of Aromatic Radicals via Chalcogen Substitution and Heterocyclic Stabilization

Due to the intrinsic electron-donating effect of chalcogen lone pairs to the aromatic rings, well-characterized radicals, including phenoxy and thiophenoxy, demonstrate that sulfur substitution for oxygen generally raises the electron affinity (EA). Here we report a counterintuitive reversal using high-resolution pho...

Ya-Ling Wang, Yun-Ye Zhang, Yi-Hao Zhou et al. · 0 citations
Open access Aug 2026

Quantum state-to-state reaction dynamics of F + HD → HF + D via a single partial wave shape resonance state

Understanding how reactions proceed through the transition state is central to chemistry, but isolating quantum resonance effects is challenging, especially above the reaction barrier where direct pathways usually dominate. Here we show that a single partial wave shape resonance, temporary trapping of the reacting part...

Dao-Fu Yuan, Jiayu Huang, Shihao Li et al. · 0 citations

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