Waro Nakanishi

Wakayama University

Japan

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Articles (14)

The plain rules founded in theory, other than the empirical rules, were established for the origin of δ (O) to understand the mechanisms to arise 17 O NMR chemical shifts, based on the MO theory, where the pre-α, α and β effects were employed for the purpose, which were analyzed mainly by σ p (O).

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2024

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2024

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2024

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2024

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2023

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2023

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2023

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2022

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2021

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2021

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2021

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2021

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2020

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2020

Collaborators (2)

Mao Minoura

Professor/Ph.D.

Ritsumeikan University

JAPAN

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Satoko Hayashi

Wakayama University

JAPAN

View details

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Waro Nakanishi

Research Interests

Explore related searches

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Articles (14)

Origin of <sup>17</sup>O NMR chemical shifts based on molecular orbital theory: paramagnetic terms of the pre-α, α and β effects from orbital-to-orbital transitions, along with the effects from vinyl, carbonyl and carboxyl groups

Extremely stable system of 1-haloselanyl-anthraquinones: experimental and theoretical investigations

Intrinsic dynamic and static natures of APn--X+--BPn σ(3c–4e) type interactions (APn = BPn = N, P, As and Sb; X = H, F, Cl, Br and I) in bicyclo[3.3.3] and bicyclo[4.4.4] systems and their behaviour, elucidated with QTAIM dual functional analysis

Origin of 17O NMR chemical shifts based on molecular orbital theory: paramagnetic terms of the pre-α, α and β effects from orbital-to-orbital transitions, along with the effects from vinyl, carbonyl and carboxyl groups

Dynamic and Static Nature of XH-∗-π and YX-∗-π (X = F, Cl, Br, and I; Y = X and F) in the Distorted π-System of Corannulene Elucidated with QTAIM Dual Functional Analysis

Inverse Versus Normal Behavior of Interactions, Elucidated Based on the Dynamic Nature with QTAIM Dual-Functional Analysis

Synthesis, structures and reactions of acylsulfenyl iodides with theoretical investigations

Proposal of pseudo-intrinsic dynamic nature of interactions: simple methods to generate the perturbed structures and to analyze for the prediction of the nature of high reliability, with the applications

Front Cover: Linear Multiselenium Interactions in Dicationic Oligomers of 1,5‐(Diselena)canes: Behavior of Semc σ(mcc‐nee) (6≤mc≤16) Elucidated with QTAIM Dual Functional Analysis (ChemistryOpen 7/2021)

Linear Multiselenium Interactions in Dicationic Oligomers of 1,5‐(Diselena)canes: Behavior of Semc σ(mcc‐nee) (6≤mc≤16) Elucidated with QTAIM Dual Functional Analysis

Linear Multiselenium Interactions in Dicationic Oligomers of 1,5‐(Diselena)canes: Behavior of Semc σ(mcc‐nee) (6≤mc≤16) Elucidated with QTAIM Dual Functional Analysis

Intrinsic Dynamic and Static Nature of Halogen Bonding in Neutral Polybromine Clusters, with the Structural Feature Elucidated by QTAIM Dual-Functional Analysis and MO Calculations

Dynamic and Static Nature of Br4σ(4c–6e) and Se2Br5σ(7c–10e) in the Selenanthrene System and Related Species Elucidated by QTAIM Dual Functional Analysis with QC Calculations

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‐λ3‐bromanes

Collaborators (2)

Mao Minoura

Satoko Hayashi

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