Litcius/Paper detail

Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods

Daniil A. Fedotov, Alexander C. Paul, Paolo Posocco, Fabrizio Santoro, Marco Garavelli, Henrik Koch, Sonia Coriani, Roberto Improta

2021Journal of Chemical Theory and Computation25 citationsDOIOpen Access PDF

Abstract

, some spectral regions are dominated by these latter signals. Aside from its methodological interest, we thus obtain interesting indications to interpret transient absorption spectra to disentangle the photoactivated dynamics of nucleobases.

Topics & Concepts

Excited stateGas phaseAbsorption (acoustics)Excited electronic stateUracilAtomic physicsPhase (matter)Electronic structureState (computer science)PhysicsMaterials scienceChemical physicsMolecular physicsChemistryComputer sciencePhysical chemistryOpticsQuantum mechanicsAlgorithmDNABiochemistryPhotochemistry and Electron Transfer StudiesSpectroscopy and Quantum Chemical StudiesAdvanced Chemical Physics Studies
Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods | Litcius