Investigating photodynamics of nucleobase–water systems
We examine the photodynamics of weakly bound hydrogen-bonded molecular systems, with a primary focus on developing a pragmatic computational protocol that incorporates flexibility and quantum distributions of initial conditions for nonadiabatic dynamics. As a case study, the photodynamics of 2,6-diaminopurine nucleobase-water clusters has been investigated, highlighting the active involvement of water in their photophysics and photochemistry.
Authors
- Antonio Prlj (ORCID: https://orcid.org/0000-0002-5589-9776)
- Sheik Haseena (ORCID: https://orcid.org/0000-0002-9907-176X)
- Tea Ostojić (ORCID: https://orcid.org/0000-0003-3868-4332)
- Luca Grisanti (ORCID: https://orcid.org/0000-0003-4311-4676)
- Barbara Rossi (ORCID: https://orcid.org/0000-0003-1357-8074)
- Chaiyaporn Lakmuang
Institutions
- Elettra-Sincrotrone Trieste S.C.p.A. (IT)
- Ruđer Bošković Institute (HR)
- National Research Council (RO)
- National Research Council (IT)
Publication Details
- Journal
- Physical Chemistry Chemical Physics
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5cp02344k
- Citations
- 1
- Primary Topic
- Spectroscopy and Quantum Chemical Studies
- Type
- article
- Field-Weighted Citation Impact
- 1.25
Funders
- Hrvatska Zaklada za Znanost