Takashi Kubo
www.chem.sci.osaka-u.ac.jp
0000-0001-6809-7396
133 papers found
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Long-Range-Corrected UDFT Study on Second Hyperpolarizabilities of Open-Shell Singlet Systems
Theoretical Consideration of Singlet Open-Shell Character of Polyperiacenes Using Clar's Aromatic Sextet Valence Bond Model and Quantum Chemical Calculations
Impact of Antidot Structure on the Multiradical Characters, Aromaticities, and Third-Order Nonlinear Optical Properties of Hexagonal Graphene Nanoflakes
Diradicalology in third‐order nonlinear optical systems: Second hyperpolarizabilities of acetylene‐linked phenalenyl‐based superpolyenes
Electron donor solvent effects on the (Hyper) polarizabilities of a solute presenting singlet diradical character
Synthesis and electronic structure of bisanthene: A small molecular-sized graphene with zigzag edges
Isolation and First X-Ray Structures of Nickel Complexes of 1,2,5-Thiadiazole-3,4-Dithiolate (Tdas) in Protonated Forms
Aromaticity and π-bond covalency: prominent intermolecular covalent bonding interaction of a Kekulé hydrocarbon with very significant singlet biradical character
Erratum to: (Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers
Synthesis, Electronic, and Morphological Properties of Tetrahedral Oligothiophenes with n-Hexyl Terminal Groups
Synthesis, Crystal Structure, and Physical Properties of Sterically Unprotected Hydrocarbon Radicals
Third-Order Nonlinear Optical Properties of Open-Shell Supermolecular Systems Composed of Acetylene Linked Phenalenyl Radicals
“Marking” the nitrogen atoms of phenyl-(2-pyridyl)-(3-pyridyl)-(4-pyridyl)-methane. Synthesis and absolute configuration of the corresponding tris(pyridine N-oxide)
Open-Shell Characters and Second Hyperpolarizabilities of One-Dimensional Graphene Nanoflakes Composed of Trigonal Graphene Units
Giant Enhancement of the Second Hyperpolarizabilities of Open-Shell Singlet Polyaromatic Diphenalenyl Diradicaloids by an External Electric Field and Donor–Acceptor Substitution
Singlet Open-Shell Character of Polyperiacenes
(Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers
Size dependences of the diradical character and the second hyperpolarizabilities in dicyclopenta-fused acenes: Relationships with their aromaticity/antiaromaticity
An effective synthesis of N,N-dimethylamides from carboxylic acids and a new route from N,N-dimethylamides to 1,2-diaryl-1,2-diketones
Alternating Covalent Bonding Interactions in a One-Dimensional Chain of a Phenalenyl-Based Singlet Biradical Molecule Having Kekulé Structures
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