Applications of Normal Coordinates of Internal Vibrations to Generate Perturbed Structures: Dynamic Behavior of Weak to Strong Interactions Elucidated by Atoms-in-Molecules Dual Functional Analysis

Waro Nakanishi; Satoko Hayashi; Kohei Matsuiwa; Masayuki Kitamoto

doi:10.1246/bcsj.20110377

Applications of Normal Coordinates of Internal Vibrations to Generate Perturbed Structures: Dynamic Behavior of Weak to Strong Interactions Elucidated by Atoms-in-Molecules Dual Functional Analysis

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.20110377 ◽

2012 ◽

Vol 85 (12) ◽

pp. 1293-1305 ◽

Cited By ~ 30

Author(s):

Waro Nakanishi ◽

Satoko Hayashi ◽

Kohei Matsuiwa ◽

Masayuki Kitamoto

Keyword(s):

Functional Analysis ◽

Dynamic Behavior ◽

Atoms In Molecules ◽

Strong Interactions ◽

Normal Coordinates ◽

Dual Functional ◽

Internal Vibrations

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Atoms-in-Molecules Dual Functional Analysis of Weak to Strong Interactions

Current Organic Chemistry ◽

10.2174/138527210790069820 ◽

2010 ◽

Vol 14 (2) ◽

pp. 181-197 ◽

Cited By ~ 45

Author(s):

Waro Nakanishi ◽

Satoko Hayashi

Keyword(s):

Functional Analysis ◽

Atoms In Molecules ◽

Strong Interactions ◽

Dual Functional

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ChemInform Abstract: Atoms-in-molecules Dual Functional Analysis of Weak to Strong Interactions

ChemInform ◽

10.1002/chin.201050274 ◽

2010 ◽

Vol 41 (50) ◽

pp. no-no

Author(s):

Waro Nakanishi ◽

Satoko Hayashi

Keyword(s):

Functional Analysis ◽

Atoms In Molecules ◽

Strong Interactions ◽

Dual Functional

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Dynamic Behaviors of Interactions: Application of Normal Coordinates of Internal Vibrations to AIM Dual Functional Analysis

The Journal of Physical Chemistry A ◽

10.1021/jp104278j ◽

2010 ◽

Vol 114 (27) ◽

pp. 7423-7430 ◽

Cited By ~ 34

Author(s):

Waro Nakanishi ◽

Satoko Hayashi

Keyword(s):

Functional Analysis ◽

Dynamic Behaviors ◽

Normal Coordinates ◽

Dual Functional ◽

Internal Vibrations

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Perturbed structures generated using coordinates derived from compliance constants in internal vibrations for QTAIM dual functional analysis: Intrinsic dynamic nature of interactions

International Journal of Quantum Chemistry ◽

10.1002/qua.25590 ◽

2018 ◽

Vol 118 (11) ◽

pp. e25590 ◽

Cited By ~ 7

Author(s):

Waro Nakanishi ◽

Satoko Hayashi

Keyword(s):

Functional Analysis ◽

Dynamic Nature ◽

Dual Functional ◽

Compliance Constants ◽

Intrinsic Dynamic ◽

Internal Vibrations

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Behavior of Halogen Bonds of the Y−X⋅⋅⋅π Type (X, Y=F, Cl, Br, I) in the Benzene π System, Elucidated by Using a Quantum Theory of Atoms in Molecules Dual-Functional Analysis

ChemPhysChem ◽

10.1002/cphc.201600227 ◽

2016 ◽

Vol 17 (16) ◽

pp. 2579-2589 ◽

Cited By ~ 9

Author(s):

Yuji Sugibayashi ◽

Satoko Hayashi ◽

Waro Nakanishi

Keyword(s):

Functional Analysis ◽

Quantum Theory ◽

Atoms In Molecules ◽

Halogen Bonds ◽

Dual Functional

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Dynamic and Static Behaviors of N–Z–N σ(3c–4e) (Z = S, Se, and Te) Interactions: Atoms-in-Molecules Dual Functional Analysis with High-Resolution X-ray Diffraction Determination of Electron Densities for 2-(2-Pyridylimino)-2H-1,2,4-thiadiazolo[2,3-a]pyridine

The Journal of Physical Chemistry A ◽

10.1021/jp2044898 ◽

2011 ◽

Vol 115 (42) ◽

pp. 11775-11787 ◽

Cited By ~ 10

Author(s):

Waro Nakanishi ◽

Satoko Hayashi ◽

Mateusz B. Pitak ◽

Michael B. Hursthouse ◽

Simon J. Coles

Keyword(s):

Functional Analysis ◽

High Resolution ◽

Atoms In Molecules ◽

X Ray Diffraction ◽

Electron Densities ◽

X Ray ◽

Dual Functional ◽

Diffraction Determination

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Dynamic and static nature of activated interactions in transition states as elucidated by quantum theory of atoms‐in‐molecules dual functional analysis: A case of ligand exchange at the N of sulfonylimino‐λ 3 ‐bromanes

International Journal of Quantum Chemistry ◽

10.1002/qua.26073 ◽

2019 ◽

Vol 120 (4) ◽

Author(s):

Waro Nakanishi ◽

Satoko Hayashi ◽

Taro Nishide ◽

Shota Otsuki

Keyword(s):

Functional Analysis ◽

Quantum Theory ◽

Ligand Exchange ◽

Transition States ◽

Atoms In Molecules ◽

Dual Functional ◽

Static Nature

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Dynamic and static behavior of the E–E′ bonds (E, E′ = S and Se) in cystine and derivatives, elucidated by AIM dual functional analysis

RSC Advances ◽

10.1039/c4ra13276a ◽

2015 ◽

Vol 5 (15) ◽

pp. 11534-11540 ◽

Cited By ~ 4

Author(s):

Yutaka Tsubomoto ◽

Satoko Hayashi ◽

Waro Nakanishi

Keyword(s):

Functional Analysis ◽

Dynamic Behavior ◽

Static Behavior ◽

Dual Functional

AIM-DFA (AIM dual functional analysis) is applied to the E–E′ bonds (E, E′ = S and Se) in R-cystine (1), its derivatives and MeEE′Me. The nature of E–E′ is elucidated by (θp, κp: dynamic behavior) and (R, θ: static behavior), through AIM-DFA.

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