Theoretical insights into the dynamics of gas-phase bimolecular reactions with submerged barriers

H Song, H Guo - ACS Physical Chemistry Au, 2023 - ACS Publications
Much attention has been paid to the dynamics of both activated gas-phase bimolecular
reactions, which feature monotonically increasing integral cross sections and Arrhenius …

Spectroscopy of radicals, clusters, and transition states using slow electron velocity-map imaging of cryogenically cooled anions

DM Neumark - The Journal of Physical Chemistry A, 2023 - ACS Publications
Slow electron velocity-map imaging of cryogenically cooled anions (cryo-SEVI) is a high-
resolution variant of anion photoelectron spectroscopy that has been applied with …

Probing the activated complex of the F + NH3 reaction via a dipole-bound state

R Zhang, S Yan, H Song, H Guo, C Ning - Nature Communications, 2024 - nature.com
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 …

Experimentally Delineating the Catalytic Effect of a Single Water Molecule in the Photochemical Rearrangement of the Phenylperoxy Radical to the Oxepin-2(5H)-one …

A Mardyukov, FJ Hernández, L Song… - Journal of the …, 2024 - ACS Publications
Catalysis plays a pivotal role in both chemistry and biology, primarily attributed to its ability to
stabilize transition states and lower activation free energies, thereby accelerating reaction …

Hairpin trimer transition state of amyloid fibril

L Sari, S Bali, LA Joachimiak, MM Lin - Nature communications, 2024 - nature.com
Protein fibril self-assembly is a universal transition implicated in neurodegenerative
diseases. Although fibril structure/growth are well characterized, fibril nucleation is poorly …

Probing the dynamics and bottleneck of the key atmospheric SO2 oxidation reaction by the hydroxyl radical

DF Yuan, Y Liu, T Trabelsi, YR Zhang… - Proceedings of the …, 2024 - National Acad Sciences
SO2 (Sulfur dioxide) is the major precursor to the production of sulfuric acid (H2SO4),
contributing to acid rain and atmospheric aerosols. Sulfuric acid formed from SO2 generates …

Feshbach resonances in the F+ CHD 3→ HF+ CD 3 reaction

S Liu, J Chen, X Zhang, DH Zhang - Chemical Science, 2023 - pubs.rsc.org
The signature of dynamics resonances was observed in the benchmark polyatomic F+
CH4/CHD3 reactions more than a decade ago; however, the dynamical origin of the …

Theoretical studies on the kinetics and dynamics of the BeH++ H 2 O reaction: Comparison with the experiment

J Li, Z Tu, H Xiang, Y Li, H Song - Physical Chemistry Chemical …, 2023 - pubs.rsc.org
The reaction of BeH+ with background gaseous H2O may play a role in qubit loss for
quantum information processing with Be+ as trapped ions, and yet its reaction mechanism …

Differential Cross-Sections for the Vibrationally Excited H + HOD(vOH = 1–4) → H2 + OD Reactions

X Xu, J Chen, S Liu, DH Zhang - The Journal of Physical …, 2024 - ACS Publications
Using the time-dependent wave-packet approach, we calculate the first fully converged state-
to-state differential cross-sections for the H+ HOD (v OH= 1–4)→ H2+ OD reactions on a …

Profiling a pulsed molecular beam with cavity-enhanced absorption spectroscopy

Z Liu, QH Liu, CF Cheng, SM Hu - Review of Scientific Instruments, 2024 - pubs.aip.org
The molecular beam plays an important role in chemical dynamics experiments. The density
in the beam is one of the critical factors influencing the reaction rate in these studies. Here …