Full dimensional quantum mechanical calculations of the reaction probability of the H + NH3 collision based on a mixed Jacobi and Radau description-Reference-Cited by-同舟云学术

Full dimensional quantum mechanical calculations of the reaction probability of the H + NH3 collision based on a mixed Jacobi and Radau description

Published:2019-05-28 Issue:20 Volume:150 Page:204301
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Zhang Zhaojun¹^ORCID,Gatti Fabien²,Zhang Dong H.¹

Affiliation:

1. State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, People’s Republic of China

2. ISMO, Institut des Sciences Moléculaires d’Orsay—UMR 8214 CNRS/Université Paris-Sud, F-91405 Orsay, France

Funder

French Chinese Network in Theoretical Chemistry

National Natural Science Foundation of China

Chinese Academy of Sciences

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5096047

Reference55 articles.

1. The Extent of Non–Born-Oppenheimer Coupling in the Reaction of Cl( 2 P ) with para- H 2

2. Transition-State Spectroscopy of Partial Wave Resonances in the F + HD Reaction

3. Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD + OH → H 2 O + D

4. Dynamical Resonances Accessible Only by Reagent Vibrational Excitation in the F + HD→HF + D Reaction

5. Extremely short-lived reaction resonances in Cl + HD ( v = 1) → DCl + H due to chemical bond softening

Cited by 11 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. An efficient and universal parallel algorithm for high-dimensional quantum dynamics in poly-atomic reactions;The Journal of Chemical Physics;2024-05-24

2. Overview of theoretical research in France on ultrafast processes in molecules;The European Physical Journal Special Topics;2023-06-29

3. Basics of dynamics;Quantum Chemistry in the Age of Machine Learning;2023

4. Ten-dimensional quantum dynamics study of H+CH₃D → H₂+CH₂D reaction;Chinese Journal of Chemical Physics;2022-02

5. Toward a Comprehensive Understanding of Mode-Specific Dynamics of Polyatomic Reactions: A Full-Dimensional Quantum Dynamics Study of the H + NH₃ Reaction;The Journal of Physical Chemistry A;2022-01-26