Xiaorui Zhao

6PUBLICATIONS
9CO-AUTHORS
Radiation and matterChemical thermodynamics and energeticsPhotonics, optoelectronics and optical communicationsTheoretical quantum chemistry
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Publications (6)

|Feb 14, 2026
Semiclassical Multi-State Dynamics of High-Energy O + O2 Collisions: Influence of Electronic Excitation on Energy Relaxation.

Xiaorui Zhao, Yinan Shu, Donald G Truhlar

|Jan 02, 2026
Nonadiabatic Direct Dynamics Simulation of Photoinduced Isomerization of Cubic Hydrogen Silsesquioxane.

Ruiqing Lei, Yinan Shu, Xiaorui Zhao

|Mar 20, 2025
Improvement of Fourteen Coupled Global Potential Energy Surfaces of 3A' States of O + O2.

Xiaorui Zhao, Yinan Shu, Qinghui Meng

|Dec 18, 2024
High-temperature non-equilibrium atom-diatom collisional energy transfer.

Xiaorui Zhao, Xuefei Xu, Haitao Xu

|Sep 29, 2023
Nonadiabatic Coupling in Trajectory Surface Hopping: Accurate Time Derivative Couplings by the Curvature-Driven Approximation.

Xiaorui Zhao, Isabella C D Merritt, Ruiqing Lei

|Mar 06, 2023
Direct Nonadiabatic Dynamics of Ammonia with Curvature-Driven Coherent Switching with Decay of Mixing and with Fewest Switches with Time Uncertainty: An Illustration of Population Leaking in Trajectory Surface Hopping Due to Frustrated Hops.

Xiaorui Zhao, Yinan Shu, Linyao Zhang

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Frequent Collaborators

6 joint publications

Xuefei Xu

5 joint publications

Yinan Shu

5 joint publications

Donald G Truhlar

2 joint publications

Linyao Zhang