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physics.chem-ph2022
Electron Attachment to Wobble Base Pairs
Jishnu Narayanan S J, Arnab Bachhar, Divya Tripathi +1
We have analyzed the low-energy electron attachment to wobble base pairs using the equation motion coupled cluster method and extended basis sets. A doorway mechanism exists for th…
physics.chem-ph2019
Water mediated Electron Attachment to Nucleobases: Surface-bound vs Bulk Solvated Electrons
Madhubani Mukherjee, Divya Tripathi, Achintya Kumar Dutta
We have investigated the electron attachment dynamics of uracil in water using accurate wave-function and QM/MM methods. The initial electron attached state is found to be localize…