New global potential energy surface of the MgH2 system and dynamics studies of the reaction H + MgH → Mg + H2-Reference-Cited by-同舟云学术

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New global potential energy surface of the MgH2 system and dynamics studies of the reaction H + MgH → Mg + H2

Published:2018-08-11 Issue:18 Volume:118 Page:e25687
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Zhang Yong¹,Wang Jiemin²,Li Wentao³

Affiliation:

1. Department of Physics; Tonghua Normal University; Tonghua Jilin China

2. Department of Physics, College of Physics and Electronic Science; Luoyang Normal University; Luoyang China

3. Department of College Foundation Education; Bohai University; Jinzhou Liaoning China

Funder

Department of Education of Liaoning Province

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.25687/fullpdf

Reference42 articles.

1. Computed distributions of rotovibrational transitions in

2. Energetics and structure of the bound states in a lithium complex: The (LiH2)+ electronic ground state

3. Association reactions of Na(+) and some implications for interstellar chemistry

4. Radiative Association Reactions of Na+, Mg+, and Al+ with Abundant Interstellar Molecules. Variational Transition State Theory Calculations

5. Nascent internal energy distributions of MgH(MgD) produced in the reaction of Mg(3s3p1P1) with H2(D2)

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1. A new global potential energy surface of CaH2 system constructed with neural network method and dynamics studies of the Ca(4s2 1S) + H2 reaction;Chemical Physics;2024-07

2. Data Quality, Data Sampling and Data Fitting: A Tutorial Guide for Constructing Full-Dimensional Accurate Potential Energy Surfaces (PESs) of Molecules and Reactions;Challenges and Advances in Computational Chemistry and Physics;2023

3. A new permutation-symmetry-adapted machine learning diabatization procedure and its application in MgH2 system;The Journal of Chemical Physics;2021-12-07

4. Rate coefficients of roaming reaction H+MgH using ring polymer molecular dynamics;Chinese Journal of Chemical Physics;2021-04

5. Dynamics studies of the H + HBr reaction: Based on a new potential energy surface;The Journal of Chemical Physics;2019-11-14

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