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Journal of Chemical Theory and Computation|January 22, 2025
New Algorithms to Generate Permutationally Invariant Polynomials and Fundamental Invariants for Potential Energy Surface FittingYiping Hao, Xiaoxiao Lu, Bina Fu, et al.
The Journal of Physical Chemistry. A|October 23, 2023
Roaming Dynamics in Hydroxymethyl Hydroperoxide Decomposition Revealed by the Full-Dimensional Potential Energy Surface of the CH<sub>2</sub>OO + H<sub>2</sub>O ReactionHao Wu, Yanlin Fu, Bina Fu, et al.
The Journal of Physical Chemistry Letters|September 24, 2024
Calculations of Dissociation Dynamics of CH<sub>3</sub>OH on a Global Potential Energy Surface Reveal the Mechanism for the Formation of HCOH; Roaming Plays a RolePaul L Houston, Chen Qu, Bina Fu, et al.
Journal of Chemical Theory and Computation|March 1, 2021
Neural Network Representation of Three-State Quasidiabatic Hamiltonians Based on the Transformation Properties from a Valence Bond Model: Three Singlet States of H<sub>3</sub><sup></sup>Zhengxi Yin, Bastiaan J Braams, Bina Fu, et al.
Chemical Society Reviews|November 17, 2017
Recent advances in quantum scattering calculations on polyatomic bimolecular reactionsBina Fu, Xiao Shan, Dong H Zhang, et al.
The Journal of Chemical Physics|February 5, 2009
Theoretical investigation of the direct observation of anharmonic coupling in CDCl(3) in the time domain with femtosecond stimulated Raman scatteringZhigang Sun, Bina Fu, Dong H Zhang, et al.
Physical Chemistry Chemical Physics : PCCP|September 1, 2018
An accurate full-dimensional potential energy surface and quasiclassical trajectory dynamics of the H + H<sub>2</sub>O<sub>2</sub> two-channel reactionXiaoxiao Lu, Kejie Shao, Bina Fu, et al.
Physical Chemistry Chemical Physics : PCCP|August 16, 2016
Mode specificity of the dissociative chemisorption of HOD on rigid Cu(111): an approximate full-dimensional quantum dynamics studyTianhui Liu, Zhaojun Zhang, Jun Chen, et al.
The Journal of Chemical Physics|November 10, 2018
Rate coefficients of the H + H<sub>2</sub>O<sub>2</sub> → H<sub>2</sub> + HO<sub>2</sub> reaction on an accurate fundamental invariant-neural network potential energy surfaceXiaoxiao Lu, Qingyong Meng, Xingan Wang, et al.
RSC Advances|May 5, 2023
Full-dimensional neural network potential energy surface and dynamics of the CH<sub>2</sub>OO + H<sub>2</sub>O reactionHao Wu, Yanlin Fu, Wenrui Dong, et al.
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