A path integral molecular dynamics study of the hyperfine coupling constants of the muoniated and hydrogenated acetone radicals
Author:
Affiliation:
1. Quantum Chemistry Division, Yokohama City University, Seto 22-2, Kanazawa-ku, Yokohama 236-0027, Japan
Funder
Ministry of Education, Culture, Sports, Science, and Technology (MEXT)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference65 articles.
1. Muonium substituted organic free radicals in liquids. Theory and analysis of μSR spectra
2. Hyperfine Interactions and Molecular Motion of the Mu−Ethyl Radical in Faujasites: NaY, HY, and USY
3. Enolization of Acetone in Superheated Water Detected via Radical Formation
4. Solvent effects on the hyperfine coupling constant and barrier to internal rotation for the 2-muoxyprop-2-Yl radical
5. Competitive muonium addition to 3-methyl-2-butenal
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1. A path integral molecular dynamics study on the muoniated xanthene-thione molecule;The Journal of Chemical Physics;2023-09-08
2. Muon Spin Rotation (μSR) for Characterizing Radical Addition to C=S in Xanthene-9-thione and Thioxanthene-9-thione;Bulletin of the Chemical Society of Japan;2023-05
3. Density Functional Theory Study of Muon Hyperfine Interactions in 12mer Single-Strand Adenine, Cytosine, and Thymine Oligomers;Journal of the Physical Society of Japan;2022-09-15
4. Two-component density functional theory for muonic molecules: Inclusion of the electron–positive muon correlation functional;The Journal of Chemical Physics;2022-01-28
5. Path integral molecular dynamics simulations for muoniated and hydrogenated thioacetone radicals;Journal of Physics: Conference Series;2020-01-01
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