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

Intramolecular Charge Transfer Effects on the Diradical Character and Second Hyperpolarizabilities of Open-Shell Singlet X−π–X (X = Donor/Acceptor) Systems

(2014) Kotaro Fukuda et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

Theoretical investigation on the 2e/12c bond and second hyperpolarizability of azaphenalenyl radical dimers: Strength and effect of dimerization

(2013) Rong-Lin Zhong et al.   JOURNAL OF CHEMICAL PHYSICS

Binding Interactions in Dimers of Phenalenyl and Closed-Shell Analogues

(2013) Brian Kolb 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

Enhancement of the second hyperpolarizability by dσ electrons in one-dimensional tetrametallic transition-metal systems

(2012) Hitoshi Fukui et al.   CHEMICAL PHYSICS LETTERS

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

The Odd Electron Density Is the Guide toward Achieving Organic Molecules with Gigantic Third-Order Nonlinear Optical Responses

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

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

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

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

(2011) Masayoshi Nakano et al.   THEORETICAL CHEMISTRY ACCOUNTS

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

Giant electric field effect on the second hyperpolarizability of symmetric singlet diradical molecules

(2010) Benoît Champagne et al.   JOURNAL OF CHEMICAL PHYSICS

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

Is There a Lower Limit to the CC Bonding Distances in Neutral Radical π-Dimers? The Case of Phenalenyl Derivatives

(2010) Yong-Hui Tian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Remarkable two-photon absorption in open-shell singlet systems

(2009) Edith Botek et al.   JOURNAL OF CHEMICAL PHYSICS

Carbon nanotubes and nanotube composites for nonlinear optical devices

(2009) Jun Wang et al.   JOURNAL OF MATERIALS CHEMISTRY

Intermolecular interaction effects on the second hyperpolarizability of open-shell singlet diphenalenyl radical dimer

(2008) Masayoshi Nakano 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