Role of Excitonic Coupling and Charge-Transfer States in the Absorption and CD Spectra of Adenine-Based Oligonucleotides Investigated through QM/MM Simulations

Author:

Spata Vincent A.1,Matsika Spiridoula1

Affiliation:

1. Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, United States

Funder

Division of Chemistry

Alexander von Humboldt-Stiftung

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Reference86 articles.

1. DNA Excited-State Dynamics: From Single Bases to the Double Helix

2. Kistler, K. A.; Matsika, S.InChallenges and Advances in Computational Chemistry and Physics: Multi-scale Quantum Models for Biocatalysis: Modern Techniques and Applications;Lee, T.S.; York, D. M., Eds.Springer Verlag:The Netherlands, 2009; Vol.7, pp285–339.

3. Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases

4. Giussani, A.; Segarra-Martí, J.; Roca-Sanjuán, D.; Merchán, M.Excitation of Nucleobases from a Computational Perspective I: Reaction Paths; Topics in Current Chemistry;Springer:Berlin, Heidelberg, Germany, 2013; pp1–41.

5. Influence of Secondary Structure on Electronic Energy Relaxation in Adenine Homopolymers

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