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Xiaoxiao Lu

Unexpected steric hindrance failure in the gas phase F− + (CH3)3CI SN2 reaction
2022 · Xiaoxiao Lu, Chenyao Shang, et al. · Nature Communications · 64
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Collision-induced and complex-mediated roaming dynamics in the H + C 2 H 4 → H 2 + C 2 H 3 reaction
2020 · Yan-Lin Fu, Xiaoxiao Lu, et al. · Chemical Science · 43
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Dynamical Effects of SN2 Reactivity Suppression by Microsolvation: Dynamics Simulations of the F–(H2O) + CH3I Reaction on a 21-Dimensional Potential Energy Surface
2022 · Xiaoxiao Lu, Lulu Li, et al. · The Journal of Physical Chemistry Letters · 31
Rate coefficients of the H + H2O2 → H2 + HO2 reaction on an accurate fundamental invariant-neural network potential energy surface
2018 · Xiaoxiao Lu, Qingyong Meng, et al. · The Journal of Chemical Physics · 24
Quantum Effects in the Dissociative Chemisorption of N2 on Fe(111): Full-Dimensional Quantum Dynamics and Quasi-Classical Trajectory Study
2021 · Huixia Shi, Tianhui Liu, et al. · The Journal of Physical Chemistry C · 22
Reactivity of syn-CH3CHOO with H2O enhanced through a roaming mechanism in the entrance channel
2025 · Yiqiang Liu, Lijie Liu, et al. · Nature Chemistry · 21
An accurate full-dimensional potential energy surface and quasiclassical trajectory dynamics of the H + H 2 O 2 two-channel reaction
2018 · Xiaoxiao Lu, Kejie Shao, et al. · Physical Chemistry Chemical Physics · 20
New Algorithms to Generate Permutationally Invariant Polynomials and Fundamental Invariants for Potential Energy Surface Fitting
2025 · Yiping Hao, Xiaoxiao Lu, et al. · Journal of Chemical Theory and Computation · 16
Theoretical Investigations of Rate Coefficients of H + H2O2 → OH + H2O on a Full-Dimensional Potential Energy Surface
2019 · Xiaoxiao Lu, Xingan Wang, et al. · The Journal of Physical Chemistry A · 16
Dynamics and kinetics of the OH + HO 2 → H 2 O + O 2 ( 1 Δ g ) reaction on a global full-dimensional singlet-state potential energy surface
2020 · Xiaoxiao Lu, Bina Fu, et al. · Physical Chemistry Chemical Physics · 12
Supercollisions of fast H-atom with ethylene on an accurate full-dimensional potential energy surface
2021 · Yan-Lin Fu, Xiaoxiao Lu, et al. · The Journal of Chemical Physics · 11
Exclusive roaming mechanism for the Cl + C2H2→C2H + HCl bimolecular reaction
2025 · Yuyao Bai, Yan-Lin Fu, et al. · Nature Communications · 10
Strong non-Arrhenius behavior at low temperatures in the OH + HCl → H 2 O + Cl reaction due to resonance induced quantum tunneling
2022 · Xin Xu, Jun Chen, et al. · Chemical Science · 10
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Determining Rate Coefficients for the 11-Atom Reaction via Ring Polymer Molecular Dynamics Based on a 27-Dimensional Potential Energy Surface: The Reaction between anti-CH3CHOO and H2O
2025 · Lijie Liu, Yanlin Fu, et al. · The Journal of Physical Chemistry Letters · 9
OH Roaming as a Key Pathway in the Anti-CH3CHOO + H2O Reaction Yielding CH3COOH and H2O
2025 · Lijie Liu, Hao Wu, et al. · The Journal of Physical Chemistry A · 4
Unveiling a flip-over retention mechanism in the gas-phase Cl− + (CH3)3CI SN2 reaction
2026 · Xiaoxiao Lu, Jennifer Meyer, et al. · Nature Communications · 3
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State-Resolved Dynamics and Rate Coefficients of the F + C2H6 Reaction with a Submerged Barrier: Ring Polymer Molecular Dynamics and Quasiclassical Trajectory Insights
2025 · Xiaoxiao Lu, Yuyao Bai, et al. · The Journal of Physical Chemistry Letters · 1
Dataset for "Unveiling a flip-over retention mechanism in the gas-phase Cl- + (CH3)3CI SN2 reaction"
2025 · Lu, Xiaoxiao, Meyer, Jennifer, et al. · Zenodo (CERN European Organization for Nuclear Research)
Works count: 21
Citation count: 318
H-index: 11
I10-index: 13
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