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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Detalles Bibliográficos
Autores principales: Green, James A., Jouybari, Martha Yaghoubi, Aranda, Daniel, Improta, Roberto, Santoro, Fabrizio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8003674/
https://www.ncbi.nlm.nih.gov/pubmed/33804640
http://dx.doi.org/10.3390/molecules26061743

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8003674/
https://www.ncbi.nlm.nih.gov/pubmed/33804640
http://dx.doi.org/10.3390/molecules26061743

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