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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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Detalhes bibliográficos
Publicado no:Chemistry
Main Authors: Li, Quansong, Giussani, Angelo, Segarra‐Martí, Javier, Nenov, Artur, Rivalta, Ivan, Voityuk, Alexander A., Mukamel, Shaul, Roca‐Sanjuán, Daniel, Garavelli, Marco, Blancafort, Lluís
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley and Sons Inc. 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5021121/
https://ncbi.nlm.nih.gov/pubmed/27113273
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/chem.201505086
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