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density functional theory 1dissociative chemisorption 1heterogeneous catalysis 1range-separated hybrids 1surface chemistry 1van der waals interactions 1

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physics.bio-ph2025

Nature of frontier quasi-particle states in nitrogen-base systems

Raul Quintero-Monsebaiz, Per Hyldgaard, Elsebeth Schröder

Understanding photophysical properties of DNA is important: It can help us elucidate and probe the impact of charges and free radicals in the cellular environment. For example, a p…