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First Principles Dynamics Study of Excited Hole Relaxation in DNA

Jian Cheng Wong1, Yosuke Kanai1

  • 1Department of Chemistry, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, USA.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|September 8, 2021
PubMed

Keywords:
DNAdensity functional calculationsexcited hole relaxationfirst-principles dynamicssurface hopping

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