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Physical Chemistry Chemical Physics : PCCP|June 19, 2026
A global fundamental invariant neural network potential energy surface and dynamics study of the hydroxyl radical and ammonia reactionQun Chen, Shu Liu, Bina Fu, et al.The Journal of Chemical Physics|December 31, 2022
Quantum dynamics reveal different ligand effects by vibrational excitation in the dissociative chemisorption of HCl on the Au/Ag(111) surfaceTianhui Liu, Huixia Shi, Bina Fu, et al.Physical Chemistry Chemical Physics : PCCP|April 7, 2020
A global ab initio potential energy surface and dynamics of the proton-transfer reaction: OH- + D2 → HOD + DLulu Li, Bina Fu, Xueming Yang, et al.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 CH2OO + H2O ReactionHao Wu, Yanlin Fu, 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 H3Zhengxi 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 + H2O2 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.Pageof 24