Exploring Proton-Coupled Electron Transfer at Multiple Scales.
basic_science · Level V
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- Record sourced from PubMed, PMID 37577057.
- Also identified by DOI 10.1038/s43588-023-00422-5 and PMC identifier 10416817.
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Abstract
The coupling of electron and proton transfer is critical for chemical and biological processes spanning a wide range of length and time scales and often occurring in complex environments. Thus, diverse modeling strategies, including analytical theories, quantum chemistry, molecular dynamics, and kinetic modeling, are essential for a comprehensive understanding of such proton-coupled electron transfer reactions. Each of these computational methods provides one piece of the puzzle, and all these pieces must be viewed together to produce the full picture.