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First Principles Dynamics Study of Excited Hole Relaxation in DNA

Journal Article · · ChemPhysChem
 [1];  [1]
  1. Department of Chemistry The University of North Carolina at Chapel Hill Chapel Hill North Carolina USA
+ Show Author Affiliations

Not provided.

Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States). Argonne Leadership Computing Facility (ALCF)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC02-06CH11357
OSTI ID:
1981399
Journal Information:
ChemPhysChem, Vol. 23, Issue 1; ISSN 1439-4235
Publisher:
ChemPubSoc Europe
Country of Publication:
United States
Language:
English

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Gamma and ion-beam irradiation of DNA: Free radical mechanisms, electron effects, and radiation chemical track structure November 2016
Do Solvated Electrons (e aq – ) Reduce DNA Bases? A Gaussian 4 and Density Functional Theory-Molecular Dynamics Study February 2016
Electronic Excitation Dynamics in DNA under Proton and α-Particle Irradiation March 2019
Size Dependence and Role of Decoherence in Hot Electron Relaxation within Fluorinated Silicon Quantum Dots: A First-Principles Study November 2018
Excited Electron Dynamics at Semiconductor–Molecule Type-II Heterojunction Interface: First-Principles Dynamics Simulation April 2016
Modeling Electron Injection at Semiconductor–Molecule Interfaces using First-Principles Dynamics Simulation: Effects of Nonadiabatic Coupling, Self-energy, and Surface Models May 2019
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