A new global potential energy surface of the SH2+(X4A′′) system and quantum calculations for the S+ + H2(v = 0–3, j = 0) reaction-Reference-Cited by-同舟云学术

A new global potential energy surface of the SH2+(X4A′′) system and quantum calculations for the S+ + H2(v = 0–3, j = 0) reaction

Published:2021 Issue:8 Volume:23 Page:4757-4767
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zhu Ziliang¹²³⁴^ORCID,Zhang Aijie⁵⁶⁷⁸,He Di⁹¹⁰¹¹⁸,Li Wentao¹²³⁴^ORCID

Affiliation:

1. Shandong Peninsula Engineering Research Center of Comprehensive Brine Utilization and Key Laboratory for Structure and Environment Disaster Preventing of Agriculture Greenhouse

2. Weifang University of Science and Technology

3. Shouguang

4. People's Republic of China

5. Key Laboratory of Magnetic Molecules & Magnetic Information Materials Ministry of Education, School of Chemistry and Material Science

6. Shanxi Normal University

7. Linfen 041004

8. China

9. School of Physics and Optoelectronics Engineering

10. Ludong University

11. Yantai 264025

Abstract

A new global potential energy surface (PES) for the ground state of the SH₂⁺(X⁴A′′) system is constructed using a permutation invariant polynomial neural network method.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP06335E

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