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The Journal of Chemical Physics|May 1, 2017
HCl dissociating on a rigid Au(111) surface: A six-dimensional quantum mechanical study on a new potential energy surface based on the RPBE functionalTianhui Liu, Bina Fu, Dong H Zhang
The Journal of Chemical Physics|October 17, 2019
Six-dimensional potential energy surfaces for the dissociative chemisorption of HCl on rigid Ag(100) and Ag(110) surfacesTianhui Liu, Bina Fu, Dong H Zhang
The Journal of Chemical Physics|April 1, 2025
Surface strain hampers dissociation and induces curious rotational-alignment effect for HCl on the Au/Cu(111) alloy surfaceTianhui Liu, Bina Fu, Dong H Zhang
The Journal of Chemical Physics|December 11, 2013
Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surfaceTianhui Liu, Bina Fu, Dong H Zhang
The Journal of Chemical Physics|July 14, 2026
Central-barrier dynamics in HCl dissociative chemisorption on Pt(111): Transition state bond elongation as a geometric indicator of vibrational efficacyTianhui Liu, Bina Fu, Dong H Zhang
The Journal of Chemical Physics|July 19, 2013
Quasiclassical trajectory studies of 18O(3P) + NO2 isotope exchange and reaction to O2 + NO on D0 and D1 potentialsBina Fu, Dong H Zhang, Joel M Bowman
The Journal of Physical Chemistry Letters|October 25, 2023
Charge-Transfer-Controlled Quantum Dynamics of HCl Dissociation on the Ag/Au(111) Bimetallic Alloy SurfaceTianhui Liu, Tianze Peng, Bina Fu, et al.
The Journal of Chemical Physics|June 4, 2020
Fitting potential energy surfaces with fundamental invariant neural network. II. Generating fundamental invariants for molecular systems with up to ten atomsRongjun Chen, Kejie Shao, Bina Fu, et al.
Physical Chemistry Chemical Physics : PCCP|September 10, 2019
Two-state diabatic potential energy surfaces of ClH2 based on nonadiabatic couplings with neural networksZhengxi Yin, Yafu Guan, Bina Fu, et al.
The Journal of Chemical Physics|January 3, 2024
Six-dimensional quantum dynamics study for the dissociative chemisorption of H2 on pure and alloyed AgAu surfacesTianhui Liu, Tianze Peng, Bina Fu, et al.
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