Neural network potential energy surface and dynamical isotope effects for the N+(3P) + H2 → NH+ + H reaction-Reference-Cited by-同舟云学术

Neural network potential energy surface and dynamical isotope effects for the N+(3P) + H2 → NH+ + H reaction

Author:

Yang Zijiang¹²³⁴⁵,Wang Shufen¹²³⁴⁵,Yuan Jiuchuang⁶⁷⁸⁹⁵^ORCID,Chen Maodu¹²³⁴⁵^ORCID

Affiliation:

1. Key Laboratory of Materials Modification by Laser, Electron, and Ion Beams (Ministry of Education)

2. School of Physics

3. Dalian University of Technology

4. Dalian 116024

5. P. R. China

6. State Key Laboratory of Molecular Reaction Dynamics

7. Dalian Institute of Chemical Physics

8. Chinese Academy of Science

9. Dalian 116023

Abstract

Dynamical isotope effects are calculated for the N⁺(³P) + H₂ → NH⁺ + H reaction on a new neural network potential energy surface.

Funder

National Natural Science Foundation of China

China Postdoctoral Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference60 articles.

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