Second hyperpolarizability (γ) of singlet diradical system: dependence of γ on the diradical character M Nakano, R Kishi, T Nitta, T Kubo, K Nakasuji, K Kamada, K Ohta, ...
The Journal of Physical Chemistry A 109 (5), 885-891, 2005
327 2005 Synthesis and characterization of teranthene: a singlet biradical polycyclic aromatic hydrocarbon having Kekulé structures A Konishi, Y Hirao, M Nakano, A Shimizu, E Botek, B Champagne, ...
Journal of the American Chemical Society 132 (32), 11021-11023, 2010
286 2010 Relationship between third-order nonlinear optical properties and magnetic interactions in open-shell systems: a new paradigm for nonlinear optics M Nakano, R Kishi, S Ohta, H Takahashi, T Kubo, K Kamada, K Ohta, ...
Physical review letters 99 (3), 033001, 2007
280 2007 Singlet diradical character from experiment K Kamada, K Ohta, A Shimizu, T Kubo, R Kishi, H Takahashi, E Botek, ...
The Journal of Physical Chemistry Letters 1 (6), 937-940, 2010
181 2010 Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell B Champagne, E Botek, M Nakano, T Nitta, K Yamaguchi
The Journal of chemical physics 122 (11), 114315, 2005
154 2005 (Hyper) polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers M Nakano, H Fukui, T Minami, K Yoneda, Y Shigeta, R Kishi, ...
Theoretical Chemistry Accounts 130, 711-724, 2011
116 2011 Theoretical study of third-order nonlinear optical properties in square nanographenes with open-shell singlet ground states M Nakano, H Nagai, H Fukui, K Yoneda, R Kishi, H Takahashi, A Shimizu, ...
Chemical Physics Letters 467 (1-3), 120-125, 2008
113 2008 Second hyperpolarizabilities (γ) of bisimidazole and bistriazole benzenes: diradical character, charged state, and spin state dependences M Nakano, R Kishi, N Nakagawa, S Ohta, H Takahashi, S Furukawa, ...
The Journal of Physical Chemistry A 110 (12), 4238-4243, 2006
112 2006 Theoretical and experimental investigation of electric field induced second harmonic generation in tetrathia [7] helicenes A Bossi, E Licandro, S Maiorana, C Rigamonti, S Righetto, ...
The Journal of Physical Chemistry C 112 (21), 7900-7907, 2008
111 2008 Origin of the enhancement of the second hyperpolarizability of singlet diradical systems with intermediate diradical character M Nakano, R Kishi, S Ohta, A Takebe, H Takahashi, S Furukawa, T Kubo, ...
The Journal of chemical physics 125 (7), 074113, 2006
107 2006 Signature of multiradical character in second hyperpolarizabilities of rectangular graphene nanoflakes H Nagai, M Nakano, K Yoneda, R Kishi, H Takahashi, A Shimizu, T Kubo, ...
Chemical Physics Letters 489 (4-6), 212-218, 2010
106 2010 Spin multiplicity effects on the second hyperpolarizability of an open-shell neutral π-conjugated system M Nakano, T Nitta, K Yamaguchi, B Champagne, E Botek
The Journal of Physical Chemistry A 108 (18), 4105-4111, 2004
102 2004 Theoretical study on the second hyperpolarizabilities of phenalenyl radical systems involving acetylene and vinylene linkers: diradical character and spin multiplicity dependences S Ohta, M Nakano, T Kubo, K Kamada, K Ohta, R Kishi, N Nakagawa, ...
The Journal of Physical Chemistry A 111 (18), 3633-3641, 2007
99 2007 Long-range corrected density functional theory study on static second hyperpolarizabilities of singlet diradical systems R Kishi, S Bonness, K Yoneda, H Takahashi, M Nakano, E Botek, ...
The Journal of chemical physics 132 (9), 094107, 2010
98 2010 Theoretical study of the second-order nonlinear optical properties of [N] helicenes and [N] phenylenes E Botek, B Champagne, M Turki, JM André
The Journal of chemical physics 120 (4), 2042-2048, 2004
92 2004 Theoretical study on third-order nonlinear optical properties in hexagonal graphene nanoflakes: Edge shape effect H Nagai, M Nakano, K Yoneda, H Fukui, T Minami, S Bonness, R Kishi, ...
Chemical Physics Letters 477 (4-6), 355-359, 2009
84 2009 Theoretical study of the two-photon absorption properties of several asymmetrically substituted stilbenoid molecules K Ohta, L Antonov, S Yamada, K Kamada
The Journal of chemical physics 127 (8), 084504, 2007
80 2007 Second-harmonic generation in GFP-like proteins I Asselberghs, C Flors, L Ferrighi, E Botek, B Champagne, H Mizuno, ...
Journal of the American Chemical Society 130 (46), 15713-15719, 2008
76 2008 Second hyperpolarizability of zethrenes. M Nakano, R Kishi, A Takebe, M Nate, H Takahashi, T Kubo, K Kamada, ...
CoLe 3 (2-4), 333-338, 2007
71 2007 Theoretical investigation on the second hyperpolarizabilities of open-shell singlet systems by spin-unrestricted density functional theory with long-range correction: Range … S Bonness, H Fukui, K Yoneda, R Kishi, B Champagne, E Botek, ...
Chemical Physics Letters 493 (1-3), 195-199, 2010
61 2010 