Xiaorui Zhao

Publication Activity (10 Years)

Years Active: 2023-2023
Publications (10 Years): 2

Top Topics

Anaerobic Digestion

Density Functional Theory

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Top Venues

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Xiaorui Zhao, Yinan Shu, Linyao Zhang, Xuefei Xu, Donald G Truhlar
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. Journal of chemical theory and computation (2023)
Xiaorui Zhao, Isabella C D Merritt, Ruiqing Lei, Yinan Shu, Denis Jacquemin, Linyao Zhang, Xuefei Xu, Morgane Vacher, Donald G Truhlar
Nonadiabatic Coupling in Trajectory Surface Hopping: Accurate Time Derivative Couplings by the Curvature-Driven Approximation. Journal of chemical theory and computation (2023)