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Multiple Decay Mechanisms and 2D‐UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine‐Uracil Monophosphate

The decay channels of singlet excited adenine uracil monophosphate (ApU) in water are studied with CASPT2//CASSCF:MM potential energy calculations and simulation of the 2D‐UV spectroscopic fingerprints with the aim of elucidating the role of the different electronic states of the stacked conformer i...

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Detalles Bibliográficos
Autores principales:	Li, Quansong, Giussani, Angelo, Segarra‐Martí, Javier, Nenov, Artur, Rivalta, Ivan, Voityuk, Alexander A., Mukamel, Shaul, Roca‐Sanjuán, Daniel, Garavelli, Marco, Blancafort, Lluís
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2016
Materias:	Full Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5021121/ https://www.ncbi.nlm.nih.gov/pubmed/27113273 http://dx.doi.org/10.1002/chem.201505086

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