Nieuwland, CelineAlmacellas, DavidVeldhuizen, Mac M.de Azevedo Santos, LucasPoater i Teixidor, JordiFonseca Guerra, Célia2025-02-132025-02-132024-01-011463-9076https://hdl.handle.net/2445/218758Non-frontier atom exchanges in hydrogen-bonded aromatic dimers can induce significant interaction energy changes (up to 6.5 kcal mol−1). Our quantum-chemical analyses reveal that the relative hydrogen-bond strengths of N-edited guanine–cytosine base pair isosteres, which cannot be explained from the frontier atoms, follow from the charge accumulation in the monomers.6 p.application/pdfengcc-by (c) Celine Nieuwland et al., 2024http://creativecommons.org/licenses/by/3.0/es/Química supramolecularADNHidrogenSupramolecular chemistryDNAHydrogeninfo:eu-repo/semantics/article7442852025-02-13info:eu-repo/semantics/openAccess