Ring-polymer molecular dynamical benchmarks for X + H2 insertion reactions-Reference-Cited by-同舟云学术

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Ring-polymer molecular dynamical benchmarks for X + H2 insertion reactions

Published:2019-09 Issue: Volume:730 Page:227-233
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Wang Han,Fang Junhua,Yang Hui,Song Jianing,Li Yongle^ORCID

Funder

National Nature Science Foundation of China

Young Eastern Scholar Program of the Shanghai Municipal Education Commission

Shanghai Key Laboratory of High Temperature Superconductors

Shanghai Sailing Program

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference48 articles.

1. Quantum Scattering Calculations on Chemical Reactions

2. Quantum dynamics of complex-forming bimolecular reactions

3. Quantum simulation of hydrogen in metals

Cited by 9 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Reactions dynamics for X + H2 insertion reactions (X = C(1D), N(2D), O(1D), S(1D)) with Cayley propagator ring-polymer molecular dynamics;The Journal of Chemical Physics;2024-06-20

2. State-to-State Quantum Dynamics Study of Intramolecular Isotope Effects on Be(1S) + HD (v0 = 2, j0 = 0) → BeH/BeD + H/D Reaction;Molecules;2024-03-13

3. First-principles surface reaction rates by ring polymer molecular dynamics and neural network potential: role of anharmonicity and lattice motion;Chemical Science;2023

4. New Stable and Fast Ring-Polymer Molecular Dynamics for Calculating Bimolecular Rate Coefficients with an Example of OH + CH₄;Journal of Chemical Theory and Computation;2022-08-19

5. Ring polymer molecular dynamics of the C(1D)+H2 reaction on the most recent potential energy surfaces;Chinese Journal of Chemical Physics;2021-12

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