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Intrinsic dynamic and static nature of each HB in the multi-HBs between nucleobase pairs and its behavior, elucidated with QTAIM dual functional analysis and QC calculations
The intrinsic dynamic and static nature of each HB in the multi-HBs between nucleobase pairs (Nu–Nu′) is elucidated with QTAIM dual functional analysis (QTAIM-DFA). Perturbed structures generated using coordinates derived from the compliance constants (C(ii)) are employed for QTAIM-DFA. The method i...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055173/ https://www.ncbi.nlm.nih.gov/pubmed/35516213 http://dx.doi.org/10.1039/d0ra01357a |