Theoretical Study on the Relationship between Diradical Character and Second Hyperpolarizabilities of Four-Membered-Ring Diradicals Involving Heavy Main-Group Elements

Axial ligand effects on the diradical characters and second hyperpolarizabilities of open-shell singlet transition-metal dinuclear complexes

(2014) Taishi Yamada et al.   CHEMICAL PHYSICS LETTERS

Third-Order Nonlinear Optical Properties of One-Dimensional Open-Shell Molecular Aggregates Composed of Phenalenyl Radicals

(2014) Kyohei Yoneda et al.   CHEMISTRY-A EUROPEAN JOURNAL

Open-Shell Character and Second Hyperpolarizabilities of One-Dimensional Chromium(II) Chains: Size Dependence and Bond-Length Alternation Effect

(2014) Hitoshi Fukui et al.   INORGANIC CHEMISTRY

Third-Order Nonlinear Optical Properties and Electroabsorption Spectra of an Organic Biradical, [Naphtho[2,1-d:6,5-d′]bis([1,2,3]dithiazole)]

(2014) Keigo Takauji et al.   Journal of Physical Chemistry C

Tetracyanoquaterrylene and Tetracyanohexarylenequinodimethanes with Tunable Ground States and Strong Near-Infrared Absorption

(2013) Zebing Zeng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical study on the diradical characters and third-order nonlinear optical properties of cyclic thiazyl diradical compounds

(2013) Hiroshi Matsui et al.   CHEMICAL PHYSICS LETTERS

Diradicals

(2013) Manabu Abe   CHEMICAL REVIEWS

Diradical character dependences of the first and second hyperpolarizabilities of asymmetric open-shell singlet systems

(2013) Benoît Champagne   JOURNAL OF CHEMICAL PHYSICS

Signature of Singlet Open-Shell Character on the Optically Allowed Singlet Excitation Energy and Singlet–Triplet Energy Gap

(2013) Takuya Minami et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Direct Arylations for Study of the Air-Stable P-Heterocyclic Biradical: From Wide Electronic Tuning to Characterization of the Localized Radicalic Electrons

(2013) Shigekazu Ito et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The chemistry of localized singlet 1,3-diradicals (biradicals): from putative intermediates to persistent species and unusual molecules with a π-single bonded character

(2012) Manabu Abe et al.   CHEMICAL SOCIETY REVIEWS

Interplay between the Diradical Character and Third-Order Nonlinear Optical Properties in Fullerene Systems

(2012) Shabbir Muhammad et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

(2012) Benoît Champagne   JOURNAL OF CHEMICAL PHYSICS

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

(2012) Hitoshi Fukui et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Impact of Antidot Structure on the Multiradical Characters, Aromaticities, and Third-Order Nonlinear Optical Properties of Hexagonal Graphene Nanoflakes

(2012) Kyohei Yoneda et al.   Journal of Physical Chemistry C

Impact of Diradical Character on Two-Photon Absorption: Bis(acridine) Dimers Synthesized from an Allenic Precursor

(2012) Kenji Kamada et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Kinetically Blocked Stable Heptazethrene and Octazethrene: Closed-Shell or Open-Shell in the Ground State?

(2012) Yuan Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stable Tetrabenzo-Chichibabin’s Hydrocarbons: Tunable Ground State and Unusual Transition between Their Closed-Shell and Open-Shell Resonance Forms

(2012) Zebing Zeng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical design of the biradical character in 1,3-diphosphacyclobutanediyl and homologous structures

(2012) Wolfgang W. Schoeller et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Polymethine dyes for all-optical switching applications: a quantum-chemical characterization of counter-ion and aggregation effects on the third-order nonlinear optical response

(2012) Sukrit Mukhopadhyay et al.   Chemical Science

Origin of the Enhancement of the Second Hyperpolarizabilities in Open-Shell Singlet Transition-Metal Systems with Metal–Metal Multiple Bonds

(2011) Hitoshi Fukui et al.   Journal of Physical Chemistry Letters

Access to a Stable Si2N2Four-Membered Ring with Non-Kekulé Singlet Biradical Character from a Disilyne

(2011) Katsuhiko Takeuchi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Size dependences of the diradical character and the second hyperpolarizabilities in dicyclopenta-fused acenes: relationships with their aromaticity/antiaromaticity

(2011) Shuto Motomura et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Some new design strategies for second-order nonlinear optical polymers and dendrimers

(2011) Zhen Li et al.   Polymer Chemistry

Erratum to: (Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers

(2011) Masayoshi Nakano et al.   THEORETICAL CHEMISTRY ACCOUNTS

(Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers

(2011) Masayoshi Nakano et al.   THEORETICAL CHEMISTRY ACCOUNTS

Third-order nonlinear optical properties of a π-conjugated biradical molecule investigated by third-harmonic generation spectroscopy

(2010) Hideo Kishida et al.   THIN SOLID FILMS

Third-order nonlinear optical properties of trigonal, rhombic and bow-tie graphene nanoflakes with strong structural dependence of diradical character

(2009) Kyohei Yoneda et al.   CHEMICAL PHYSICS LETTERS

Theoretical study on third-order nonlinear optical properties in hexagonal graphene nanoflakes: Edge shape effect

(2009) Hiroshi Nagai et al.   CHEMICAL PHYSICS LETTERS

Enhanced Two-Photon Absorption of Organic Chromophores: Theoretical and Experimental Assessments

(2008) Francesca Terenziani et al.   ADVANCED MATERIALS

Theoretical study of third-order nonlinear optical properties in square nanographenes with open-shell singlet ground states

(2008) Masayoshi Nakano et al.   CHEMICAL PHYSICS LETTERS