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American Institute of Physics, The Journal of Chemical Physics, 23(125), p. 231102, 2006

DOI: 10.1063/1.2408411

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Toward the understanding of DNA fluorescence: The singlet excimer of cytosine

Journal article published in 2006 by Gloria Olaso-González, Daniel Roca-Sanjuán ORCID, Luis Serrano-Andrés, Manuela Merchán
This paper is available in a repository.
This paper is available in a repository.

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Abstract

By using the multiconfigurational second-order perturbation method CASPT2, including corrections for the basis set superposition error, the lowest-singlet excited state of the face-to-face pi-stacked cytosine homodimer is revealed to be bound by about half an eV, being the source of an emissive feature consistent with the observed redshifted fluorescence.