Structures, g ‐tensors, and hyperfine coupling constants of L‐α‐alanine radicals in radiation dosimetry: An ab initio molecular dynamics simulation study
| Autor: | M. Janbazi, Khashayar Ghandi, Muhammad Shadman Lakmehsari, Farhood Ziaie, Yavar T. Azar, Chérif F. Matta |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Alanine
Materials science 010304 chemical physics Hydrogen bond Radical Radiation 010402 general chemistry Condensed Matter Physics 01 natural sciences Atomic and Molecular Physics and Optics 0104 chemical sciences Ab initio molecular dynamics Hyperfine coupling 0103 physical sciences Physical chemistry Dosimetry Density functional theory Physical and Theoretical Chemistry |
| Zdroj: | International Journal of Quantum Chemistry. 120 |
| ISSN: | 1097-461X 0020-7608 |
| DOI: | 10.1002/qua.26211 |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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