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Investigating photodynamics of nucleobase-water systems
Haseena Sheik1, Luca Grisanti2, Tea Ostojić1
1Ruđer Bošković Institute, Bijenička cesta 54, 10000 Zagreb, Croatia. antonio.prlj@irb.hr.
None:
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.
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