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The Journal of Chemical Physics|January 30, 2021
Reinterpreting the vibrational structure in the electronic spectrum of the propargyl cation (H<sub>2</sub>C<sub>3</sub>H<sup>+</sup>) using an efficient and accurate quantum modelZheming Ouyang, Changjian XieThe Journal of Chemical Physics|February 3, 2018
Active vs. spectator modes in nonadiabatic photodissociation dynamics of the hydroxymethyl radical via the 2<sup>2</sup>A(3s) Rydberg stateChangjian Xie, Hua GuoThe Journal of Chemical Physics|November 4, 2011
New ab initio coupled potential energy surfaces for the Br(2P(3∕2), 2P(1∕2)) + H2 reactionBin Jiang, Changjian Xie, Daiqian XieThe Journal of Chemical Physics|February 19, 2025
Characterizing the photodissociation dynamics of HPCO in the S1 bandJiayuan Li, Siting Hou, Changjian XieJournal of Chemical Theory and Computation|May 22, 2023
Constructing Diabatic Potential Energy Matrices with Neural Networks Based on Adiabatic Energies and Physical Considerations: Toward Quantum Dynamic AccuracyChaofan Li, Siting Hou, Changjian XieThe Journal of Physical Chemistry. A|January 3, 2025
Full-Dimensional Neural Network Potential Energy Surface for the Photodissociation Dynamics of HNCS in the S<sub>1</sub> bandShuangrui Ma, Siting Hou, Changjian XieJournal of Chemical Theory and Computation|February 20, 2026
Constructing Diabatic Potential Energy Matrices with Quantum Dynamic Accuracy: A Neural Network Based Δ-Machine Learning ApproachSiting Hou, Zejie Zhang, Changjian XieThe Journal of Chemical Physics|May 17, 2011
State-to-state quantum dynamics of the H + HBr reaction: competition between the abstraction and exchange reactionsChangjian Xie, Bin Jiang, Daiqian XiePhysical Chemistry Chemical Physics : PCCP|February 8, 2020
Correction: Kinetics and dynamics of the C(<sup>3</sup>P) + H<sub>2</sub>O reaction on a full-dimensional accurate triplet state potential energy surfaceJun Li, Changjian Xie, Hua GuoThe Journal of Physical Chemistry. A|August 9, 2024
Accurate and Efficient Schemes for Mapping Out Two Isolated Seams of Conical Intersections with Neural Networks Solely Based on Adiabatic Energies: A Case Study of H<sup>+</sup> + NO(<i>X</i><sup>2</sup>Π) → H + NO<sup>+</sup>(<i>X</i><sup>1</sup>Σ<sup>+</sup>)Siting Hou, Zhimo Wang, Changjian XiePageof 13