The journal of physical chemistry. BProtonsAdenineThymineWaterBase Pairing
Role of Hydration in Excited-State Proton Transfer in Adenine-Thymine Nucleobase Pairs.
Moumita Banerjee, Nilanjan Mitra
Published: 202510.1021/acs.jpcb.5c03607
Abstract
This study investigates the excited-state proton transfer (ESPT) mechanism in canonical adenine-thymine (A-T) nucleobase pairs under gas-phase and explicitly hydrated conditions. Using a combination of time-dependent density functional theory (TDDFT)…
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