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Author

Dong H. Zhang

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Oct 2026

Full-Dimensional Quantum Dynamics of the H + CH2D2 → H2 + CHD2 Reaction: Mode-Specific Chemistry in an Asymmetric Methane Isotopologue.

The hydrogen abstraction reaction H + CH2D2 → H2 + CHD2 serves as an essential benchmark for polyatomic reaction dynamics, yet its lack of C3v symmetry has precluded full-dimensional quantum mechanical treatments. Here, we report the first full-dimensional (12D) time-dependent wave packet study of this reaction on an a...

Zhao-Jun Zhang, Dong H. Zhang · 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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