A Neural Network Potential Energy Surface and Quantum Dynamics Study of Ca(1S) + H2(v0 = 0, j0 = 0) → CaH + H Reaction-Reference-Cited by-同舟云学术

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A Neural Network Potential Energy Surface and Quantum Dynamics Study of Ca(¹S) + H₂(v₀ = 0, j₀ = 0) → CaH + H Reaction

Published:2024-07-02 Issue:28 Volume:9 Page:30804-30812
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Chen Hanghang¹^ORCID,Mao Ye¹,Yang Zijiang²,Chen Maodu¹^ORCID

Affiliation:

1. Key Laboratory of Materials Modification by Laser, Electron, and Ion Beams (Ministry of Education), School of Physics, Dalian University of Technology, Dalian 116024, China

2. School of Physics and Electronic Technology, Liaoning Normal University, Dalian 116029, China

Funder

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acsomega.4c03465

Reference60 articles.

1. Twenty-Three New Ultracool Subdwarfs from the Sloan Digital Sky Survey

2. A Band of Unusual Structure Probably Due to a Highly Unstable Calcium Hydride Molecule

3. Electronic, structural and vibrational properties of calcium monohydride

4. Ab initio transition dipole moments and potential energy curves for the low-lying electronic states of CaH

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