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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Invited for this month's cover picture is Professor Satoko Hayashi's group from the Faculty of Systems Engineering at Wakayama University (Japan). The cover picture shows Japanese lanterns for the Bon festival dance dangling on two ropes, and several molecular graphs with contour maps for...

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Autores principales: Nishide, Taro, Hayashi, Satoko, Nakanishi, Waro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2018
Materias:
Cover Profile
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6077873/
https://www.ncbi.nlm.nih.gov/pubmed/30094123
http://dx.doi.org/10.1002/open.201800133
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author Nishide, Taro
Hayashi, Satoko
Nakanishi, Waro
author_facet Nishide, Taro
Hayashi, Satoko
Nakanishi, Waro
author_sort Nishide, Taro
collection PubMed
description Invited for this month's cover picture is Professor Satoko Hayashi's group from the Faculty of Systems Engineering at Wakayama University (Japan). The cover picture shows Japanese lanterns for the Bon festival dance dangling on two ropes, and several molecular graphs with contour maps for hydrogen bonds (HBs) emerging from the lanterns. The curves of the ropes may correspond to the ΔE (energy of formation) and C (ij) (compliance constant) values for HBs, for which the product will be constant. Read the full text of their Full Paper at https://doi.org/10.1002/open.201800051.
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spelling pubmed-60778732018-08-09 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 Nishide, Taro Hayashi, Satoko Nakanishi, Waro ChemistryOpen Cover Profile Invited for this month's cover picture is Professor Satoko Hayashi's group from the Faculty of Systems Engineering at Wakayama University (Japan). The cover picture shows Japanese lanterns for the Bon festival dance dangling on two ropes, and several molecular graphs with contour maps for hydrogen bonds (HBs) emerging from the lanterns. The curves of the ropes may correspond to the ΔE (energy of formation) and C (ij) (compliance constant) values for HBs, for which the product will be constant. Read the full text of their Full Paper at https://doi.org/10.1002/open.201800051. John Wiley and Sons Inc. 2018-07-18 /pmc/articles/PMC6077873/ /pubmed/30094123 http://dx.doi.org/10.1002/open.201800133 Text en © 2018 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim
spellingShingle Cover Profile
Nishide, Taro
Hayashi, Satoko
Nakanishi, Waro
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
title 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Cover Profile
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6077873/
https://www.ncbi.nlm.nih.gov/pubmed/30094123
http://dx.doi.org/10.1002/open.201800133
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