Full-dimensional quantum dynamics study of isotope effects for the H2 + NH2/ND2/NHD and H2/D2/HD + NH2 reactions-Reference-Cited by-同舟云学术

Full-dimensional quantum dynamics study of isotope effects for the H2 + NH2/ND2/NHD and H2/D2/HD + NH2 reactions

Published:2021-02-21 Issue:7 Volume:154 Page:074301
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Zhang Xiaoren¹²,Zhang Zhaojun¹^ORCID,Gatti Fabien³,Zhang Dong H.¹^ORCID

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. University of Chinese Academy of Sciences, Beijing 100049, China

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

Funder

National Natural Science Foundation of China

Chinese Academy of Sciences

French Chinese Network in Theoretical Chemistry

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0040002

Reference68 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

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