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Chemical Science|July 24, 2025
Unusual differential cross sections for the H + D<sub>2</sub>O → D + HOD exchange reaction induced by the C<sub>3V</sub> transition state and quantum interferenceShu Liu, Qun Chen, Kejie Shao, et al.
Journal of Chemical Theory and Computation|November 21, 2015
Quasiclassical Trajectory Studies of the Photodissociation Dynamics of NO3 from the D0 and D1 Potential Energy SurfacesBina Fu, Joel M Bowman, Hongyan Xiao, et al.
Nature Communications|June 11, 2016
First-principles quantum dynamical theory for the dissociative chemisorption of H2O on rigid Cu(111)Zhaojun Zhang, Tianhui Liu, Bina Fu, et al.
Physical Chemistry Chemical Physics : PCCP|March 5, 2016
Mode specificity for the dissociative chemisorption of H2O on Cu(111): a quantum dynamics study on an accurately fitted potential energy surfaceTianhui Liu, Zhaojun Zhang, Bina Fu, et al.
Chemical Science|June 15, 2018
A seven-dimensional quantum dynamics study of the dissociative chemisorption of H<sub>2</sub>O on Cu(111): effects of azimuthal angles and azimuthal angle-averagingTianhui Liu, Zhaojun Zhang, Bina Fu, et al.
The Journal of Physical Chemistry. A|September 29, 2015
Crossed Molecular Beams and Quasiclassical Trajectory Surface Hopping Studies of the Multichannel Nonadiabatic O((3)P) + Ethylene Reaction at High Collision EnergyNadia Balucani, Francesca Leonori, Piergiorgio Casavecchia, et al.
The Journal of Chemical Physics|February 17, 2011
Ab initio potential energy surface and quantum dynamics for the H + CH4 → H2 + CH3 reactionYong Zhou, Bina Fu, Chunrui Wang, et al.
Physical Chemistry Chemical Physics : PCCP|December 21, 2020
A fundamental invariant-neural network representation of quasi-diabatic Hamiltonians for the two lowest states of H<sub>3</sub>Zhengxi Yin, Bastiaan J Braams, Yafu Guan, et al.
The Journal of Chemical Physics|January 15, 2021
Supercollisions of fast H-atom with ethylene on an accurate full-dimensional potential energy surfaceYan-Lin Fu, Xiaoxiao Lu, Yong-Chang Han, et al.
The Journal of Physical Chemistry Letters|August 25, 2020
Exclusive Neural Network Representation of the Quasi-Diabatic Hamiltonians Including Conical IntersectionsYingyue Hong, Zhengxi Yin, Yafu Guan, et al.
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