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

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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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Detalles Bibliográficos
Autores principales: Nishide, Taro, Hayashi, Satoko, Nakanishi, Waro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2018
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6077874/
https://www.ncbi.nlm.nih.gov/pubmed/30094124
http://dx.doi.org/10.1002/open.201800051

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6077874/
https://www.ncbi.nlm.nih.gov/pubmed/30094124
http://dx.doi.org/10.1002/open.201800051

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