Ryohei Kishi
researchmap.jp
0000-0002-6005-7629
Osaka University
144 papers found
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Full configuration interaction calculations of the second hyperpolarizabilities of the H4 model compound: Summation-over-states analysis and interplay with diradical characters
Electron donor solvent effects on the (Hyper) polarizabilities of a solute presenting singlet diradical character
Tuned long-range corrected density functional theory method for evaluating the second hyperpolarizabilities of open-shell singlet metal–metal bonded systems
Halide Ion Complexes of Decaborane (B10H14) and Their Derivatives: Noncovalent Charge Transfer Effect on Second-Order Nonlinear Optical Properties
Erratum to: (Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers
Third-Order Nonlinear Optical Properties of Open-Shell Supermolecular Systems Composed of Acetylene Linked Phenalenyl Radicals
Giant Enhancement of the Second Hyperpolarizabilities of Open-Shell Singlet Polyaromatic Diphenalenyl Diradicaloids by an External Electric Field and Donor–Acceptor Substitution
The QM/MM-ER studies for the origin of the antioxidative properties of MCI-186 in aqueous solutions
Quantum Master Equation Method Based on the Broken-Symmetry Time-Dependent Density Functional Theory: Application to Dynamic Polarizability of Open-Shell Molecular Systems
(Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers
Approximate spin-projected spin-unrestricted density functional theory method: Application to the diradical character dependences of the (hyper)polarizabilities in p-quinodimethane models
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
Signature of multiradical character in second hyperpolarizabilities of rectangular graphene nanoflakes
Exciton Recurrence Motion in Double-Ring Molecular Aggregates Induced by Two-Mode Circular-Polarized Laser Field
Long-range corrected density functional theory study on static second hyperpolarizabilities of singlet diradical systems
Singlet Diradical Character from Experiment
The Exchange-Energy Density Functional Based on the Modified Becke-Roussel Model
Ab initio MO–CI based quantum master equation approach: Exciton dynamics of weakly and strongly coupled J-type aggregates
Third-order nonlinear optical properties of open-shell singlet molecular aggregates composed of diphenalenyl diradicals
Control of third-order nonlinear optical properties of singlet diradical square planar metal complexes involving o-semiquinonato type ligands
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