Recent advances in quantum dynamics of bimolecular reactions
DH Zhang, H Guo - Annual review of physical chemistry, 2016 - annualreviews.org
In this review, we survey the latest advances in theoretical understanding of bimolecular
reaction dynamics in the past decade. The remarkable recent progress in this field has been …
reaction dynamics in the past decade. The remarkable recent progress in this field has been …
Recent advances in quantum scattering calculations on polyatomic bimolecular reactions
B Fu, X Shan, DH Zhang, DC Clary - Chemical Society Reviews, 2017 - pubs.rsc.org
This review surveys quantum scattering calculations on chemical reactions of polyatomic
molecules in the gas phase published in the last ten years. These calculations are useful …
molecules in the gas phase published in the last ten years. These calculations are useful …
Advances and new challenges to bimolecular reaction dynamics theory
Dynamics of bimolecular reactions in the gas phase are of foundational importance in
combustion, atmospheric chemistry, interstellar chemistry, and plasma chemistry. These …
combustion, atmospheric chemistry, interstellar chemistry, and plasma chemistry. These …
Ab initio potential energy surfaces and quantum dynamics for polyatomic bimolecular reactions
B Fu, DH Zhang - Journal of Chemical Theory and Computation, 2018 - ACS Publications
There has been great progress in the development of potential energy surfaces (PESs) and
quantum dynamics calculations in the gas phase. The establishment of a fitting procedure …
quantum dynamics calculations in the gas phase. The establishment of a fitting procedure …
Probing the activated complex of the F + NH3 reaction via a dipole-bound state
Experimental characterization of the transition state poses a significant challenge due to its
fleeting nature. Negative ion photodetachment offers a unique tool for probing transition …
fleeting nature. Negative ion photodetachment offers a unique tool for probing transition …
Feshbach resonances in the exit channel of the F + CH3OH → HF + CH3O reaction observed using transition-state spectroscopy
The transition state governs how chemical bonds form and cleave during a chemical
reaction and its direct characterization is a long-standing challenge in physical chemistry …
reaction and its direct characterization is a long-standing challenge in physical chemistry …
From ab Initio Potential Energy Surfaces to State-Resolved Reactivities: X + H2O ↔ HX + OH [X = F, Cl, and O(3P)] Reactions
We survey the recent advances in theoretical understanding of quantum state resolved
dynamics, using the title reactions as examples. It is shown that the progress was made …
dynamics, using the title reactions as examples. It is shown that the progress was made …
Tomography of Feshbach resonance states
B Margulis, KP Horn, DM Reich, M Upadhyay, N Kahn… - Science, 2023 - science.org
Feshbach resonances are fundamental to interparticle interactions and become particularly
important in cold collisions with atoms, ions, and molecules. In this work, we present the …
important in cold collisions with atoms, ions, and molecules. In this work, we present the …
Extremely short-lived reaction resonances in Cl + HD (v = 1) → DCl + H due to chemical bond softening
The Cl+ H2 reaction is an important benchmark system in the study of chemical reaction
dynamics that has always appeared to proceed via a direct abstraction mechanism, with no …
dynamics that has always appeared to proceed via a direct abstraction mechanism, with no …
Control of chemical reactivity by transition-state and beyond
It has been long established that the transition state for an activated reaction controls the
overall reactivity, serving as the bottleneck for reaction flux. However, the role of the …
overall reactivity, serving as the bottleneck for reaction flux. However, the role of the …