Computational Study of Hydrogen Atom Transfer in the Reaction of Quercetin with Hydroxyl Radical
Hydrogen atom transfer (HAT), a concerted charge transfer involving two elementary particles, a proton and an electron, plays a key role in many areas of chemistry and biochemistry. A molecular dynamics study based on density functional theory was performed to investigate the reaction mechanism of h...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2025-06-01
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| Series: | Hydrogen |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2673-4141/6/2/39 |
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