Investigating photodynamics of nucleobase–water systems

Sheik, Haseena; Grisanti, Luca; Ostojić, Tea; Lakmuang, Chaiyaporn; Rossi, Barbara; Prlj, Antonio (2025) Investigating photodynamics of nucleobase–water systems. Physical Chemistry Chemical Physics, 27 (35). pp. 18112-18115. ISSN 1463-9076

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Abstract

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 nucleobasewater clusters has been investigated, highlighting the active involvement of water in their photophysics and photochemistry.

Item Type:	Article
Uncontrolled Keywords:	photodynamics; nucleobase-water; simulation
Subjects:	NATURAL SCIENCES > Chemistry > Theoretical Chemistry
Divisions:	Division of Physical Chemistry
Projects:	Project title Project leader Project code Project type Hibridno modeliranje pobuđenih stanja u novim molekularnim materijalima: od optičkih svojstava do dinamike ekscitona-HYMO4EXNOMOMA Luca Grisanti IP-2020-02-7262 HRZZ
Depositing User:	Lorena Palameta
Date Deposited:	04 Nov 2025 09:24
URI:	http://fulir.irb.hr/id/eprint/10130
DOI:	10.1039/d5cp02344k

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