Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases

Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases

We have recently proposed a protocol for Quantum Dynamics (QD) calculations, which is based on a parameterisation of Linear Vibronic Coupling (LVC) Hamiltonians with Time Dependent (TD) Density Functional Theory (TD-DFT), and exploits the latest developments in multiconfigurational TD-Hartree method...

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Bibliographic Details
Main Authors: James A. Green, Martha Yaghoubi Jouybari, Daniel Aranda, Roberto Improta, Fabrizio Santoro
Format: Article
Language:English
Published: MDPI AG 2021-03-01
Series:Molecules
Subjects:
photoinduced processes
nonadiabatic interactions
quantum dynamics
vibronic spectra
nucleobases
Online Access:https://www.mdpi.com/1420-3049/26/6/1743

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