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Intrinsic Dynamic Nature of Neutral Hydrogen Bonds Elucidated with QTAIM Dual Functional Analysis: Role of the Compliance Force Constants and QTAIM‐DFA Parameters in Stability
The dynamic and static nature of various neutral hydrogen bonds (nHBs) is elucidated with quantum theory of atoms‐in‐molecules dual functional analysis (QTAIM‐DFA). The perturbed structures generated by using the coordinates derived from the compliance force constants (C(ij)) of internal vibrations...
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| Publicat a: | ChemistryOpen |
|---|---|
| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
John Wiley and Sons Inc.
2018
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6077874/ https://ncbi.nlm.nih.gov/pubmed/30094124 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/open.201800051 |
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