dc.contributor.author
Nieuwland, Celine
dc.contributor.author
Almacellas, David
dc.contributor.author
Veldhuizen, Mac M.
dc.contributor.author
de Azevedo Santos, Lucas
dc.contributor.author
Poater i Teixidor, Jordi
dc.contributor.author
Fonseca Guerra, Célia
dc.date.issued
2025-02-13T16:18:21Z
dc.date.issued
2025-02-13T16:18:21Z
dc.date.issued
2024-01-01
dc.date.issued
2025-02-13T16:18:21Z
dc.identifier
https://hdl.handle.net/2445/218758
dc.description.abstract
Non-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.
dc.format
application/pdf
dc.publisher
Royal Society of Chemistry
dc.relation
Reproducció del document publicat a: https://doi.org/10.1039/D3CP05244C
dc.relation
Physical Chemistry Chemical Physics, 2024
dc.relation
https://doi.org/10.1039/D3CP05244C
dc.rights
cc-by (c) Celine Nieuwland et al., 2024
dc.rights
http://creativecommons.org/licenses/by/3.0/es/
dc.rights
info:eu-repo/semantics/openAccess
dc.source
Articles publicats en revistes (Química Inorgànica i Orgànica)
dc.subject
Química supramolecular
dc.subject
Supramolecular chemistry
dc.title
Multiple hydrogen-bonded dimers: Are only the frontier atoms relevant?
dc.type
info:eu-repo/semantics/article
dc.type
info:eu-repo/semantics/publishedVersion
