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List of works by Ryohei Kishi

A Phosphorus Analogue of p-Quinodimethane with a Planar P4 Ring: A Metal-Free Diphosphorus Source

scientific article published on 04 February 2019

A Puckered Singlet Cyclopentane-1,3-diyl: Detection of the Third Isomer in Homolysis.

scientific article published on 11 January 2016

Benzonorcorrole NiII Complexes: Enhancement of Paratropic Ring Current and Singlet Diradical Character by Benzo-Fusion

scientific article published on 12 January 2018

Challenging compounds for calculating hyperpolarizabilities: p-quinodimethane derivatives.

scientific article published on 28 May 2013

Computation of the free energy change associated with one-electron reduction of coenzyme immersed in water: a novel approach within the framework of the quantum mechanical/molecular mechanical method combined with the theory of energy representation

scientific article

Development of calculation and analysis methods for the dynamic first hyperpolarizability based on the ab initio molecular orbital-quantum master equation method.

scientific article published on 23 April 2012

Diradical Character Enhancement by Spacing: N-Heterocyclic Carbene Analogues of Müller's Hydrocarbon

scientific article published on 18 October 2018

Diradical Character Tuning for the Third-Order Nonlinear Optical Properties of Quinoidal Oligothiophenes by Introducing Thiophene-S,S-dioxide Rings.

scientific article published on 16 December 2015

Diradical character and nonlinear optical properties of buckyferrocenes: focusing on the use of suitably modified fullerene fragments

scientific article published on 01 February 2015

Enhancement of Antiaromatic Character via Additional Benzoannulation into Dibenzo[ a, f]pentalene: Syntheses and Properties of Benzo[ a]naphtho[2,1- f]pentalene and Dinaphtho[2,1- a, f]pentalene

scientific article published on 21 December 2018

Enhancement of the third-order nonlinear optical properties in open-shell singlet transition-metal dinuclear systems: effects of the group, of the period, and of the charge of the metal atom

scientific article published on 25 May 2012

Evaluation of Aromaticity for Open-Shell Singlet Dicyclopenta-Fused Acenes and Polyacenes Based on a Magnetically Induced Current

scientific article published on 29 August 2018

Exploring the novel donor-nanotube archetype as an efficient third-order nonlinear optical material: asymmetric open-shell carbon nanotubes

scientific article published on 01 September 2018

Finite-Field Spin-Flip Configuration Interaction Calculation of the Second Hyperpolarizabilities of Singlet Diradical Systems.

scientific article published in September 2007

Finite-field method with unbiased polarizable continuum model for evaluation of the second hyperpolarizability of an open-shell singlet molecule in solvents.

scientific article published in August 2013

Fluoreno[2,3-b]fluorene vs Indeno[2,1-b]fluorene: Unusual Relationship between the Number of π Electrons and Excitation Energy in m-Quinodimethane-Type Singlet Diradicaloids.

scientific article published on 6 January 2017

Full configuration interaction calculations of the second hyperpolarizabilities of the H4 model compound: summation-over-states analysis and interplay with diradical characters

scientific article published on 01 January 2012

Halide ion complexes of decaborane (B10H14) and their derivatives: noncovalent charge transfer effect on second-order nonlinear optical properties

scientific article published on 25 January 2012

Indeno[2,1-b]fluorene: A 20-π-Electron Hydrocarbon with Very Low-Energy Light Absorption

scientific article published on 29 April 2013

Inside Cover: Third‐Order Nonlinear Optical Properties of One‐Dimensional Quinoidal Oligothiophene Derivatives Involving Phenoxyl Groups (ChemistryOpen 4/2017).

scientific article published on 21 July 2017

Interplay between the diradical character and third-order nonlinear optical properties in fullerene systems

scientific article published on 18 December 2012

Investigation of the dominant hydration structures among the ionic species in aqueous solution: novel quantum mechanics/molecular mechanics simulations combined with the theory of energy representation

scientific article published in February 2008

Long-range corrected density functional theory study on static second hyperpolarizabilities of singlet diradical systems.

scientific article published in March 2010

Monoradicals and Diradicals of Dibenzofluoreno[3,2-b]fluorene Isomers: Mechanisms of Electronic Delocalization

scientific article published on 18 November 2020

Monte Carlo Wavefunction Approach to Singlet Fission Dynamics of Molecular Aggregates

scientific article published on 01 February 2019

Novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: free energy calculation for the Beckmann rearrangement promoted by proton transfers in the supercritical water

scientific article published in February 2007

Open-shell character and second hyperpolarizabilities of one-dimensional chromium(II) chains: size dependence and bond-length alternation effect

scientific article

Origin of the enhancement of the second hyperpolarizability of singlet diradical systems with intermediate diradical character

scientific article published in August 2006

Quantum Master Equation Approach to Singlet Fission Dynamics in Pentacene Linear Aggregate Models: Size Dependences of Excitonic Coupling Effects

scientific article published on 18 September 2018

Quantum master equation approach to the second hyperpolarizability of nanostar dendritic systems

scientific article published in April 2005

Quantum master equation method based on the broken-symmetry time-dependent density functional theory: application to dynamic polarizability of open-shell molecular systems.

scientific article published on 30 March 2011

Relationship between third-order nonlinear optical properties and magnetic interactions in open-shell systems: a new paradigm for nonlinear optics.

scientific article published on 20 July 2007

Remarkable two-photon absorption in open-shell singlet systems

scientific article published on 01 September 2009

Role of a singlet diradical character in carbon nanomaterials: a novel hot spot for efficient nonlinear optical materials.

scientific article

Second hyperpolarizabilities of singlet polycyclic diphenalenyl radicals: effects of the nature of the central heterocyclic ring and substitution to diphenalenyl rings.

scientific article published on 28 August 2007

Second hyperpolarizability (gamma) of singlet diradical system: dependence of gamma on the diradical character.

scientific article published in February 2005

Strong Two-Photon Absorption of Singlet Diradical Hydrocarbons

scientific article (publication date: 4 May 2007)

Synthesis and characterization of quarteranthene: elucidating the characteristics of the edge state of graphene nanoribbons at the molecular level

scientific article published on 16 January 2013

Synthesis of the Unknown Indeno[1,2-a]fluorene Regioisomer: Crystallographic Characterization of Its Dianion

scientific article

The Exchange-Energy Density Functional Based on the Modified Becke-Roussel Model

scientific article published on 01 February 2010

Theoretical Study on Open-Shell Singlet Character and Second Hyperpolarizabilities in Cofacial π-Stacked Dimers Composed of Weak Open-Shell Antiaromatic Porphyrins

scientific article published on 20 September 2018

Theoretical Study on the Open-Shell Singlet Nature and the Second Hyperpolarizabilities of Corannulene Derivatives with Two Phenoxyl Radicals.

scientific article

Theoretical design of solvatochromism switching by photochromic reactions using donor-acceptor disubstituted diarylethene derivatives with oxidized thiophene rings.

scientific article published in March 2015

Theoretical study on diradical characters and nonlinear optical properties of 1,3-diradical compounds.

scientific article published on 30 October 2014

Theoretical study on exciton recurrence motion in anthracene dimer using the Ab initio MO-CI based quantum master equation approach

scientific article

Theoretical study on second hyperpolarizabilities of singlet diradical square planar nickel complexes involving o-semiquinonato type ligands

scientific article published on 14 August 2008

Theoretical study on the second hyperpolarizabilities of phenalenyl radical systems involving acetylene and vinylene linkers: diradical character and spin multiplicity dependences

scientific article published on 17 April 2007

Thiophene and its sulfur inhibit indenoindenodibenzothiophene diradicals from low-energy lying thermal triplets

scientific article published on 17 September 2018

Third-Order Nonlinear Optical Properties of One-Dimensional Quinoidal Oligothiophene Derivatives Involving Phenoxyl Groups.

scientific article

Third-Order Nonlinear Optical Properties of Open-Shell Supermolecular Systems Composed of Acetylene Linked Phenalenyl Radicals

scientific article published on 21 July 2011

Tunability of Open-Shell Character, Charge Asymmetricity and Third-Order Nonlinear Optical Properties of Covalently-Linked (Hetero)Phenalenyl Dimers

scientific article

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