Cover Image

Wave-Packet Surface Propagation for Light-Induced Molecular Dissociation

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Pan, Shengzhe, Zhang, Zhaohan, Hu, Chenxi, Lu, Peifen, Gong, Xiaochun, Gong, Ruolin, Zhang, Wenbin, Zhou, Lianrong, Lu, Chenxu, Shi, Menghang, Jiang, Zhejun, Ni, Hongcheng, He, Feng, Wu, Jian
Format:	Preprint
Published:	2023
Subjects:	Chemical Physics Optics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

D3MES: Diffusion Transformer with multihead equivariant self-attention for 3D molecule generation
by: Zhang, Zhejun, et al.
Published: (2025)

Hierarchical Wavepacket Propagation Framework via ML-MCTDH for Molecular Reaction Dynamics
by: Zhang, Xingyu, et al.
Published: (2025)

Modulation of Electroosmotic Flow through Short Nanopores by Charged Exterior Surfaces
by: Zhang, Chao, et al.
Published: (2025)

Molecular Insights into the Water Dissociation and Proton Dynamics at the $β$-TaON (100)/Water Interface
by: Mandal, Sagarmoy, et al.
Published: (2024)

Dissociative Electron Attachment on Metal Surfaces: The Case of HCl$^-$ on Au(111)
by: Moorby, Robin E., et al.
Published: (2024)

Full-Dimensional Reactive Potential Energy Surfaces for OCS$^+$ $\rightarrow$ CO+S$^+$ Dissociation: Ground and Excited States
by: Yin, Cangtao, et al.
Published: (2026)

Reactions dynamics for X + H2 insertion reactions(X=C(1D), N(2D), O(1D), S(1D)) with Cayley Propagator ring-polymer molecular dynamics
by: Jiang, Wenbin, et al.
Published: (2024)

Dissociative Single and Double Ionization of Pyridine
by: Mondal, Sitanath, et al.
Published: (2026)

UniField: RBF-Guided Electron Density Fusion for Enhanced Molecular Representations
by: Zhang, Wei, et al.
Published: (2026)

Quantum Machine Learning of Molecular Energies with Hybrid Quantum-Neural Wavefunction
by: Li, Weitang, et al.
Published: (2025)

Dissociative Recombination of CF$^+$
by: Forer, Joshua, et al.
Published: (2024)

Dynamics of Dissociative Electron Attachment to Aliphatic Thiols
by: Das, Sukanta, et al.
Published: (2023)

A Massively Scalable Ligand-Protein Dissociation Dynamic Database Derived from Atomistic Molecular Modelling
by: Li, Maodong, et al.
Published: (2026)

Dissociation of hydrofluorocarbon molecules after electron impact in plasma
by: Makhov, Dmitry V., et al.
Published: (2024)

Competing Ionization and Dissociation in the H$_2$ Gerade System
by: Hvizdoš, Dávid, et al.
Published: (2021)

Insights into Ionic Diffusion in C-S-H Gel Pore from Molecular Dynamics Simulations: Spatial Distributions, Energy Barriers, and Structural Descriptor
by: Chen, Weiqiang, et al.
Published: (2025)

Robust Surface-Induced Enhancement of Exciton Transport in Magic-Angle-Oriented Molecular Aggregates
by: Wang, Siwei, et al.
Published: (2025)

Resonant Coupling Between Electromagnetic Waves and Protein Conformational Dynamics Revealed by Molecular Dynamics Simulations
by: Chen, Jiafei, et al.
Published: (2026)

Enhancing Oxygen Reduction Reaction on Pt-Based Electrocatalysts through Surface Decoration for Improved OH Reduction Equilibrium and Reduced H2O Adsorption
by: Xu, Yu-Jun, et al.
Published: (2025)

Bioinformatic Analysis of the Protective Effects of Dexmedetomidine and Thrombopoietin Against Hypoxia/Reoxygenation‐Induced Injury in AC16 Cells
by: Cuiyan Xing, et al.
Published: (2025)

Synthesis, Surface Activity Study and Molecular Dynamics Simulations of a Cationic Quaternary Ammonium Salt Surfactant
by: Xianwu Jing, et al.
Published: (2026)

Unraveling the Electric Field‐Induced Dissociation Mechanism of CrO 2 Cl 2 : Density Functional Theory Study
by: Yile Wang, et al.
Published: (2026)

Gel-Chemistry-Dependent Heavy-Metal Ion Transport and Immobilization in Cementitious Nanopores: A Molecular Dynamics Study
by: Chen, Weiqiang, et al.
Published: (2026)

Dissociative electron attachment to the HNC$_3$ molecule
by: Aubin, Elizabeth, et al.
Published: (2025)

Dissociative recombination of rotationally cold ArH$^+$
by: Kálosi, Ábel, et al.
Published: (2024)

CO$_2$ Dissociative Sticking on Cu(110)
by: Gonzalez, Federico J., et al.
Published: (2025)

Dissociative photoionization of EUV lithography photoresist models
by: Gentile, Marziogiuseppe, et al.
Published: (2024)

Treatment of Thermal Non-Equilibrium Dissociation Rates: Application to $\rm H_2$
by: Carroll, Alex T., et al.
Published: (2025)

NHPI catalyzed air oxidation of cyclohexanone: Mechanism and kinetics study
by: Guanwen Chen, et al.
Published: (2025)

Revisiting Sampling Strategies for Molecular Generation
by: Ni, Yuyan, et al.
Published: (2025)

Semiclassical Nonadiabatic Molecular Dynamics for Molecular Exciton-Polaritons
by: Li, Xinyang, et al.
Published: (2024)

The catalytic Baeyer–Villiger oxidation of cyclohexanone to ε‐caprolactone over cerium–tin oxide
by: Ruolin Wang, et al.
Published: (2025)

Molecular Heterogeneous Photocatalysts for Visible‐Light‐Driven CO2 Reduction
by: Yuanyuan Qi, et al.
Published: (2024)

Dissociation and isomerization following ionization of ethylene: insights from non-adiabatic dynamics simulations
by: Fransén, Lina, et al.
Published: (2024)

CO2 adsorption mechanisms in hydrated silica nanopores: Insights from grand canonical Monte Carlo to classical and ab initio molecular dynamics
by: Shi, Jihong, et al.
Published: (2025)

Enhancing Infrared Laser Dissociation of Molecules with the Electromagnetic Vacuum
by: Triana, Johan F., et al.
Published: (2025)

Molecular Mechanisms and Efficacy of Tislelizumab, a PD ‐1 Inhibitor Developed in China, in Non‐Small Cell Lung Cancer
by: Yihao Liu, et al.
Published: (2026)

Characteristics of mono-, di-, and trivalent cations in electric double layers: a molecular dynamic investigation
by: Ai, Bowen, et al.
Published: (2025)

Competing Ionization and Dissociation: Extension of the energy-dependent frame transformation to the gerade symmetry of H$_2$
by: Hvizdos, David, et al.
Published: (2024)

Metallic solid-state hydrogen storage crystals achieved through chemical precompression under ambient conditions
by: Liu, Baiqiang, et al.
Published: (2025)