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Photoinduced hydrogen dissociation in thymine predicted by coupled cluster theory

Eirik F Kjønstad1,2,3, O Jonathan Fajen4,5, Alexander C Paul6

  • 1Department of Chemistry, Stanford University, Stanford, CA, USA. eirik.kjonstad@ntnu.no.

Nature Communications
|November 23, 2024
PubMed
Summary

Ultraviolet radiation causes thymine to rapidly decay via a ππ* to nπ* transition. New simulations also reveal a potential hydrogen dissociation pathway, prompting further experimental investigation.

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