Electronic excitation processes in single-strand and double-strand DNA: a computational approach.

作者: Felix Plasser , Adélia J. A. Aquino , Hans Lischka , Dana Nachtigallová

DOI: 10.1007/128_2013_517

关键词: ChemistryDNAChemical physicsGenetic codeRelaxation (physics)DimerNucleobaseAb initio quantum chemistry methodsAtomic physicsExcited stateChromophore

摘要: Absorption of UV light by nucleic acids can lead to damaging photoreactions, which may ultimately mutations the genetic code. The complexity photodynamical behavior nucleobases in DNA double-helix provides a great challenge both experimental and computational chemists studying these processes. Starting from initially excited states, main question regards understanding subsequent relaxation processes, either utilize monomer-like deactivation pathways or excitonic charge transfer species with new dynamics. After review photophysical processes single we outline theoretical background relevant for interacting chromophores assess large variety approaches nature dynamics states DNA. discussion continues analysis calculations on followed presentation excited-state is concluded topics proton photochemical dimer formation nucleobases.

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