Hitoshi Fukui

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

Masayoshi Nakano, Hitoshi Fukui, Takuya Minami et al. · Theoretical Chemistry Accounts · 2011 · 139 citations

Engineering, Occupation Numbers, Physics +10

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

Masayoshi Nakano, Hiroshi Nagai, Hitoshi Fukui et al. · Chemical Physics Letters · 2008 · 95 citations

Quantum Science, Square Nanographenes, Graphene-based Nano-antennas +14

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

Hiroshi Nagai, Masayoshi Nakano, Kyohei Yoneda et al. · Chemical Physics Letters · 2009 · 76 citations

Materials Science, Graphene Nanomeshes, Graphene Quantum Dot +13

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

Shuto Motomura, Masayoshi Nakano, Hitoshi Fukui et al. · Physical Chemistry Chemical Physics · 2011 · 72 citations

Engineering, Magnetic Resonance, Organic Chemistry +17

Halide Ion Complexes of Decaborane (B₁₀H₁₄) and Their Derivatives: Noncovalent Charge Transfer Effect on Second-Order Nonlinear Optical Properties

Shabbir Muhammad, Takuya Minami, Hitoshi Fukui et al. · The Journal of Physical Chemistry A · 2011 · 63 citations

Optical Materials, Engineering, Computational Chemistry +17