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https://hdl.handle.net/2445/218758Full metadata record
| DC Field | Value | Language |
|---|---|---|
| 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.accessioned | 2025-02-13T16:18:21Z | - |
| dc.date.available | 2025-02-13T16:18:21Z | - |
| dc.date.issued | 2024-01-01 | - |
| dc.identifier.issn | 1463-9076 | - |
| dc.identifier.uri | 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.extent | 6 p. | - |
| dc.format.mimetype | application/pdf | - |
| dc.language.iso | eng | - |
| dc.publisher | Royal Society of Chemistry | - |
| dc.relation.isformatof | Reproducció del document publicat a: https://doi.org/10.1039/D3CP05244C | - |
| dc.relation.ispartof | Physical Chemistry Chemical Physics, 2024 | - |
| dc.relation.uri | https://doi.org/10.1039/D3CP05244C | - |
| dc.rights | cc-by (c) Celine Nieuwland et al., 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es/ | * |
| dc.source | Articles publicats en revistes (Química Inorgànica i Orgànica) | - |
| dc.subject.classification | Química supramolecular | - |
| dc.subject.classification | ADN | - |
| dc.subject.classification | Hidrogen | - |
| dc.subject.other | Supramolecular chemistry | - |
| dc.subject.other | DNA | - |
| dc.subject.other | Hydrogen | - |
| 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 | - |
| dc.identifier.idgrec | 744285 | - |
| dc.date.updated | 2025-02-13T16:18:21Z | - |
| dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
| Appears in Collections: | Articles publicats en revistes (Química Inorgànica i Orgànica) Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB)) | |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| 847154.pdf | 2.13 MB | Adobe PDF | View/Open |
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