Nonlinear optical properties in open-shell molecular systems

Theoretical Design of Open-Shell Singlet Molecular Systems for Nonlinear Optics

(2015) Masayoshi Nakano et al.   Journal of Physical Chemistry Letters

Diradical character dependence of third-harmonic generation spectra in open-shell singlet systems

(2015) Masayoshi Nakano et al.   THEORETICAL CHEMISTRY ACCOUNTS

Zethrenes, Extended p-Quinodimethanes, and Periacenes with a Singlet Biradical Ground State

(2014) Zhe Sun et al.   ACCOUNTS OF CHEMICAL RESEARCH

para-Quinodimethane-Bridged Perylene Dimers and Pericondensed Quaterrylenes: The Effect of the Fusion Mode on the Ground States and Physical Properties

(2014) Soumyajit Das et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

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

(2014) Hiroshi Matsui et al.   CHEMISTRY-A EUROPEAN JOURNAL

Evaluation of the molecular static and dynamic first hyperpolarizabilities

(2014) Marc de Wergifosse et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Theoretical Study on Diradical Characters and Nonlinear Optical Properties of 1,3-Diradical Compounds

(2014) Ryohei Kishi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

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

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

Challenging Compounds for Calculating Hyperpolarizabilities: p-Quinodimethane Derivatives

(2013) Marc de Wergifosse et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Study on the Electronic Structure and Third-Order Nonlinear Optical Properties of Open-Shell Quinoidal Oligothiophenes

(2013) Ryohei Kishi et al.   Journal of Physical Chemistry C

Photochromic Switching of Diradical Character: Design of Efficient Nonlinear Optical Switches

(2013) Katsuki Okuno et al.   Journal of Physical Chemistry Letters

Natural orbital functional calculations of molecular polarizabilities and second hyperpolarizabilities. The hydrogen molecule as a test case

(2013) Xabier Lopez et al.   JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

Dibenzoheptazethrene Isomers with Different Biradical Characters: An Exercise of Clar’s Aromatic Sextet Rule in Singlet Biradicaloids

(2013) Zhe Sun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Towards Polycyclic Aromatic Hydrocarbons with a Singlet Open-Shell Ground State

(2011) Christoph Lambert   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Open-Shell Characters and Second Hyperpolarizabilities of One-Dimensional Graphene Nanoflakes Composed of Trigonal Graphene Units

(2011) Kyohei Yoneda et al.   CHEMPHYSCHEM

Open-shell polycyclic aromatic hydrocarbons

(2011) Zhe Sun et al.   JOURNAL OF MATERIALS CHEMISTRY

Giant Enhancement of the Second Hyperpolarizabilities of Open-Shell Singlet Polyaromatic Diphenalenyl Diradicaloids by an External Electric Field and Donor–Acceptor Substitution

(2011) Masayoshi Nakano et al.   Journal of Physical Chemistry Letters

Diradical Character View of Singlet Fission

(2011) Takuya Minami et al.   Journal of Physical Chemistry Letters

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

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

(2011) Masayoshi Nakano et al.   THEORETICAL CHEMISTRY ACCOUNTS

Approximate spin-projected spin-unrestricted density functional theory method: Application to the diradical character dependences of the (hyper)polarizabilities in p-quinodimethane models

(2010) Masayoshi Nakano et al.   CHEMICAL PHYSICS LETTERS

Signature of multiradical character in second hyperpolarizabilities of rectangular graphene nanoflakes

(2010) Hiroshi Nagai et al.   CHEMICAL PHYSICS LETTERS

Theoretical investigation on the second hyperpolarizabilities of open-shell singlet systems by spin-unrestricted density functional theory with long-range correction: Range separating parameter dependence

(2010) Sean Bonness et al.   CHEMICAL PHYSICS LETTERS

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

(2010) Sean Bonness et al.   JOURNAL OF CHEMICAL PHYSICS

Singlet Diradical Character from Experiment

(2010) Kenji Kamada et al.   Journal of Physical Chemistry Letters

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

(2008) Masayoshi Nakano et al.   CHEMICAL PHYSICS LETTERS