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Kishi Ryohei

岸 亮平

Graduate School of Engineering Science Department of Materials Engineering Science, Associate Professor

keyword Molecular Crystals,Polycyclic Aromatic Hydrocarbon,Nonlinear Optics,Open-Shell Molecular Systems,Electron Dynamics,Electronic Excited State,Quantum Chemistry

Education

  • 2006/04 - 2007/01, Osaka University, Graduate School of Engineering Science, Division of Chemical Engineering, Department of Materials Engineering Science (Doctoral Course)
  • 2004/04 - 2006/03, Osaka University, Graduate School of Engineering Science, Division of Chemical Engineering, Department of Materials Engineering Science (Master's Course)
  • 2000/04 - 2004/03, Osaka University, School of Engineering Science, Deptartment of Chemical Science and Engineering

Research History

  • 2020/05 - Present, Osaka University, Graduate School of Engineering Science Department of Materials Engineering Science Division of Chemical Engineering, Associate Professor
  • 2007/04 - 2020/05, Graduate School of Engineering Science, Osaka University, Division of Chemical Engineering, Department of Materials Engineering Science, Assistant Professor
  • 2007/02 - 2007/03, Graduate School of Engineering Science, Osaka University, Division of Chemical Engineering, Department of Materials Engineering Science, Research Associate
  • 2006/04 - 2007/01, JSPS, Research Fellowship for Young Scientists (DC1)

Research Areas

  • Nanotechnology/Materials, Functional solid-state chemistry
  • Nanotechnology/Materials, Basic physical chemistry

Professional Memberships

  • THE JAPANESE PHOTOCHEMISTRY ASSOCIATION
  • 理論化学会
  • THE SOCIETY OF CHEMICAL ENGINEERS, JAPAN
  • JAPAN SOCIETY FOR MOLECULAR SCIENCE
  • THE CHEMICAL SOCIETY OF JAPAN

Papers

  • Characterization of Benzo[ a ]naphtho[2,3‐ f ]pentalene: Interrelation between Open‐shell and Antiaromatic Characters Governed by Mode of the Quinoidal Subunit and Molecular Symmetry, Akihito Konishi,Koki Horii,Haruna Iwasa,Yui Okada,Ryohei Kishi,Masayoshi Nakano,Makoto Yasuda, Chemistry – An Asian Journal, Wiley, 2021/05/10
  • Theoretical Study on Third-Order Nonlinear Optical Properties for One-Hole-Doped Diradicaloids, Wataru Yoshida,Hiroshi Matsui,Hajime Miyamoto,Takayoshi Tonami,Ryota Sugimori,Kyohei Yoneda,Ryohei Kishi,Masayoshi Nakano, ACS Omega, Vol. 6, No. 4, p. 3046-3059, 2021/02/02
  • Monoradicals and Diradicals of Dibenzofluoreno[3,2- b]fluorene Isomers: Mechanisms of Electronic Delocalization, Hideki Hayashi,Joshua E. Barker,Abel Cárdenas Valdivia,Ryohei Kishi,Samantha N. Macmillan,Carlos J. Gómez-García,Hidenori Miyauchi,Yosuke Nakamura,Masayoshi Nakano,Shin Ichiro Kato,Michael M. Haley,Juan Casado, Journal of the American Chemical Society, Vol. 142, No. 48, p. 20444-20455, 2020/12/02
  • Ultrafast Exciton Self‐Trapping and Delocalization in Cycloparaphenylenes: The Role of Excited‐State Symmetry in Electron‐Vibrational Coupling, Juno Kim,Ryohei Kishi,Eiichi Kayahara,Woojae Kim,Shigeru Yamago,Masayoshi Nakano,Dongho Kim, Angewandte Chemie, Wiley, Vol. 132, No. 39, p. 17137-17144, 2020/09/21
  • Ultrafast Exciton Self‐Trapping and Delocalization in Cycloparaphenylenes: The Role of Excited‐State Symmetry in Electron‐Vibrational Coupling, Juno Kim,Ryohei Kishi,Eiichi Kayahara,Woojae Kim,Shigeru Yamago,Masayoshi Nakano,Dongho Kim, Angewandte Chemie International Edition, Wiley, Vol. 59, No. 39, p. 16989-16996, 2020/09/21
  • Late-Stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation, Justin J. Dressler,Joshua E. Barker,Lucas J. Karas,Hannah E. Hashimoto,Ryohei Kishi,Lev N. Zakharov,Samantha N. MacMillan,Carlos J. Gomez-Garcia,Masayoshi Nakano,Judy I. Wu,Michael M. Haley, The Journal of Organic Chemistry, American Chemical Society ({ACS}), 2020/08/21
  • Diindenoanthracene Diradicaloids Enable Rational, Incremental Tuning of Their Singlet-Triplet Energy Gaps, Justin J. Dressler,Abel Cárdenas Valdivia,Ryohei Kishi,Gabriel E. Rudebusch,Austin M. Ventura,Brian E. Chastain,Carlos J. Gómez-García,Lev N. Zakharov,Masayoshi Nakano,Juan Casado,Michael M. Haley, Chem, Elsevier BV, Vol. 6, No. 6, p. 1353-1368, 2020/06
  • Molecule Isomerism Modulates the Diradical Properties of Stable Singlet Diradicaloids, Joshua E. Barker,Justin J. Dressler,Abel Cárdenas Valdivia,Ryohei Kishi,Eric T. Strand,Lev N. Zakharov,Samantha N. Macmillan,Carlos J. Gómez-García,Masayoshi Nakano,Juan Casado,Michael M. Haley, Journal of the American Chemical Society, Vol. 142, No. 3, p. 1548-1555, 2020/01/22
  • Theoretical study on aromatic and open-shell characteristics of carbon nanobelts composed of indeno[1,2-b]fluorene units: dependence on the number of units and charge states, Ryohei Kishi,Masaki Yamane,Ryosuke Sugiura,Wataru Yoshida,Yosuke Shimizu,Masayoshi Nakano, RSC Advances, 2020
  • Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds, Chenting Yan,Masato Takeshita,Jun-ya Nakatsuji,Akihiro Kurosaki,Kaoko Sato,Rong Shang,Masaaki Nakamoto,Yohsuke Yamamoto,Yohei Adachi,Ko Furukawa,Ryohei Kishi,Masayoshi Nakano, Chemical Science, Royal Society of Chemistry (RSC), Vol. 11, No. 19, p. 5082-5088, 2020
  • Open-Shell Characters, Aromaticities and Third-Order Nonlinear Optical Properties of Carbon Nanobelts Composed of Five- and Six-Membered Rings (vol 7, pg 2320, 2018), Yamane Masaki,Kishi Ryohei,Tonami Takayoshi,Okada Kenji,Nagami Takanori,Kitagawa Yasutaka,Nakano Masayoshi, ASIAN JOURNAL OF ORGANIC CHEMISTRY, Vol. 8, No. 6, p. 916-917, 2019/06
  • A Tetrasilicon Analogue of Bicyclo[1.1.0]but-1(3)-ene Containing a Si=Si Double Bond with an Inverted Geometry, Takeaki Iwamoto,Takashi Abe,Kunihisa Sugimoto,Daisuke Hashizume,Hiroshi Matsui,Ryohei Kishi,Masayoshi Nakano,Shintaro Ishida, Angewandte Chemie - International Edition, Vol. 58, p. 4371-4375, 2019/03/22
  • A Phosphorus Analogue of p-Quinodimethane with a Planar P <inf>4</inf> Ring: A Metal-Free Diphosphorus Source, Dennis Rottschäfer,Beate Neumann,Hans Georg Stammler,Ryohei Kishi,Masayoshi Nakano,Rajendra S. Ghadwal, Chemistry - A European Journal, Vol. 25, p. 3244-3247, 2019/03/01
  • Monte Carlo wavefunction approach to singlet fission dynamics of molecular aggregates, Masayoshi Nakano,Kenji Okada,Takanori Nagami,Takayoshi Tonami,Ryohei Kishi,Yasutaka Kitagawa, Molecules, Vol. 24, 2019/02/01
  • Enhancement of Antiaromatic Character via Additional Benzoannulation into Dibenzo[a,f]pentalene: Syntheses and Properties of Benzo[a]naphtho[2,1-f]pentalene and Dinaphtho[2,1-a,f]pentalene, Akihito Konishi,Yui Okada,Ryohei Kishi,Masayoshi Nakano,Makoto Yasuda, Journal of the American Chemical Society, American Chemical Society ({ACS}), 2019/01
  • Thiophene and its sulfur inhibit indenoindenodibenzothiophene diradicals from low-energy lying thermal triplets, Justin J. Dressler,Mitsuru Teraoka,Guzmán L. Espejo,Ryohei Kishi,Shota Takamuku,Carlos J,Gómez-García,Lev N. Zakharov,Masayoshi Nakano,Masayoshi Nakano,Masayoshi Nakano,Juan Casado,Michael M. Haley, Nature Chemistry, Vol. 10, p. 1134-1140, 2018/11/01
  • Open-Shell Characters, Aromaticities and Third-Order Nonlinear Optical Properties of Carbon Nanobelts Composed of Five- and Six-Membered Rings, Masaki Yamane,Ryohei Kishi,Takayoshi Tonami,Kenji Okada,Takanori Nagami,Yasutaka Kitagawa,Yasutaka Kitagawa,Masayoshi Nakano,Masayoshi Nakano,Masayoshi Nakano, Asian Journal of Organic Chemistry, Vol. 7, p. 2320-2329, 2018/11/01
  • Diradical Character Enhancement by Spacing: N-Heterocyclic Carbene Analogues of Müller's Hydrocarbon, Dennis Rottschäfer,Jasmin Busch,Beate Neumann,Hans Georg Stammler,Maurice van Gastel,Ryohei Kishi,Masayoshi Nakano,Rajendra S. Ghadwal, Chemistry - A European Journal, Vol. 24, p. 16537-16542, 2018/11
  • Exploring the novel donor-nanotube archetype as an efficient third-order nonlinear optical material: Asymmetric open-shell carbon nanotubes, Shabbir Muhammad,Shabbir Muhammad,Masayoshi Nakano,Masayoshi Nakano,Masayoshi Nakano,Abdullah G. Al-Sehemi,Abdullah G. Al-Sehemi,Ahmad Irfan,Ahmad Irfan,Aijaz Rasool Chaudhry,Takayoshi Tonami,Soichi Ito,Ryohei Kishi,Yasutaka Kitagawa,Yasutaka Kitagawa, Nanoscale, Vol. 10, p. 16499-16507, 2018/09/21
  • Evaluation of Aromaticity for Open-Shell Singlet Dicyclopenta-Fused Acenes and Polyacenes Based on a Magnetically Induced Current, Takanori Nagami,Jun ya Fujiyoshi,Takayoshi Tonami,Ken ichiro Watanabe,Masaki Yamane,Kenji Okada,Ryohei Kishi,Masayoshi Nakano,Masayoshi Nakano,Masayoshi Nakano,Benoît Champagne,Vincent Liégeois, Chemistry - A European Journal, Vol. 24, p. 13457-13466, 2018/09/12
  • Theoretical study on the gigantic effect of external static electric field application on the nonlinear optical properties of 1,2,3,5-dithiadiazolyl pi-radical dimers, Matsui Hiroshi,Yamane Masaki,Tonami Takayoshi,Nagami Takanori,Watanabe Kenichiro,Kishi Ryohei,Kitagawa Yasutaka,Nakano Masayoshi, MATERIALS CHEMISTRY FRONTIERS, Vol. 2, No. 4, p. 785-790, 2018/04/01
  • Tunability of Open-Shell Character, Charge Asymmetry, and Third-Order Nonlinear Optical Properties of Covalently Linked (Hetero)Phenalenyl Dimers, Yuka Minamida,Ryohei Kishi,Kotaro Fukuda,Hiroshi Matsui,Shota Takamuku,Masaki Yamane,Takayoshi Tonami,Masayoshi Nakano, Chemistry - A European Journal, Wiley-VCH Verlag, Vol. 24, No. 8, p. 1913-1921, 2018/02/06
  • Evaluation of Aromaticity for Open-Shell Singlet Dicyclopenta-Fused Acenes and Polyacenes Based on a Magnetically Induced Current, Takanori Nagami,Jun ya Fujiyoshi,Takayoshi Tonami,Ken ichiro Watanabe,Masaki Yamane,Kenji Okada,Ryohei Kishi,Masayoshi Nakano,Masayoshi Nakano,Masayoshi Nakano,Benoît Champagne,Vincent Liégeois, Chemistry - A European Journal, 2018/01/01
  • Quantum Master Equation Approach to Singlet Fission Dynamics in Pentacene Linear Aggregate Models: Size Dependences of Excitonic Coupling Effects, Masayoshi Nakano,Takanori Nagami,Takayoshi Tonami,Kenji Okada,Soichi Ito,Soichi Ito,Ryohei Kishi,Yasutaka Kitagawa,Yasutaka Kitagawa,Takashi Kubo, Journal of Computational Chemistry, 2018/01
  • Benzonorcorrole Ni<sup>II</sup> Complexes: Enhancement of Paratropic Ring Current and Singlet Diradical Character by Benzo-Fusion, Yoshida, T.,Takahashi, K.,Ide, Y.,Kishi, R.,Fujiyoshi, J.-Y.,Lee, S.,Hiraoka, Y.,Kim, D.,Nakano, M.,Ikeue, T.,Yamada, H.,Shinokubo, H., Angewandte Chemie - International Edition, Vol. 57, No. 8, p. 2209-2213, 2018
  • Theoretical Study on Open-Shell Singlet Character and Second Hyperpolarizabilities in Cofacial π-Stacked Dimers Composed of Weak Open-Shell Antiaromatic Porphyrins, Fujiyoshi, J.-Y.,Tonami, T.,Yamane, M.,Okada, K.,Kishi, R.,Muhammad, S.,Al-Sehemi, A.G.,Nozawa, R.,Shinokubo, H.,Nakano, M., ChemPhysChem, Vol. 19, No. 21, p. 2863-2871, 2018
  • Synthesis of the Unknown Indeno[1,2-a]fluorene Regioisomer: Crystallographic Characterization of Its Dianion, Justin J. Dressler,Zheng Zhou,Jonathan L. Marshall,Ryohei Kishi,Shota Takamuku,Zheng Wei,Sarah N. Spisak,Masayoshi Nakano,Marina A. Petrukhina,Michael M. Haley, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, WILEY-V C H VERLAG GMBH, Vol. 56, No. 48, p. 15363-15367, 2017/11
  • Third-Order Nonlinear Optical Properties of One-Dimensional Quinoidal Oligothiophene Derivatives Involving Phenoxyl Groups, Ryohei Kishi,Tsubasa Katsurayama,Shoki Ochi,Akihiro Makino,Naoyuki Matsushita,Michika Saito,Takanori Nagami,Jun-ya Fujiyoshi,Masayoshi Nakano, CHEMISTRYOPEN, WILEY-V C H VERLAG GMBH, Vol. 6, No. 4, p. 506-513, 2017/08
  • Third-Order Nonlinear Optical Properties of One-Dimensional Quinoidal Oligothiophene Derivatives Involving Phenoxyl Groups, Ryohei Kishi,Tsubasa Katsurayama,Shoki Ochi,Akihiro Makino,Naoyuki Matsushita,Michika Saito,Takanori Nagami,Jun-ya Fujiyoshi,Masayoshi Nakano, CHEMISTRYOPEN, WILEY-V C H VERLAG GMBH, Vol. 6, No. 4, p. 506-513, 2017/08
  • Generation of Aromatic (Dehydro) benzoannulene Dications Stabilized by Platinum Catecholate Complexes, Kazukuni Tahara,Hiroyoshi Kozuma,Varadhachari Venkatesh,Eri Ryomura,Hirokazu Miyoshi,Keigo Nakamachi,Ryohei Kishi,Hideaki Takahashi,Masayoshi Nakano,Yoshito Tobe, CHEMPLUSCHEM, WILEY-V C H VERLAG GMBH, Vol. 82, No. 7, p. 1052-1056, 2017/07
  • Theoretical Study on the Open-Shell Singlet Nature and the Second Hyperpolarizabilities of Corannulene Derivatives with Two Phenoxyl Radicals, Yuka Minamida,Hiroshi Matsui,Kotaro Fukuda,Takanori Nagami,Jun-ya Fujiyoshi,Kyohei Yoneda,Shota Takamuku,Ryohei Kishi,Yasutaka Kitagawa,Masayoshi Nakano, JOURNAL OF PHYSICAL CHEMISTRY A, AMER CHEMICAL SOC, Vol. 121, No. 21, p. 4171-4179, 2017/06
  • Theoretical investigation of curved pi-conjugated fullerene flakes: open-shell character, aromaticity, and third-order nonlinear optical property, Kotaro Fukuda,Jun-ya Fujiyoshi,Yuka Minamida,Takanori Nagami,Hiroshi Matsui,Soichi Ito,Ryohei Kishi,Yasutaka Kitagawa,Benoit Champagne,Masayoshi Nakano, JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, WILEY, Vol. 30, No. 4, 2017/04
  • Fluoreno[2,3-b]fluorene vs Indeno[2,1-b]fluorene: Unusual Relationship between the Number of pi Electrons and Excitation Energy in m-Quinodimethane-Type Singlet Diradicaloids, Hirokazu Miyoshi,Masahito Miki,Shintaro Hirano,Akihiro Shimizu,Ryohei Kishi,Kotaro Fukuda,Daisuke Shiomi,Kazunobu Sato,Takeji Takui,Ichiro Hisaki,Masayoshi Nakano,Yoshito Tobe, JOURNAL OF ORGANIC CHEMISTRY, AMER CHEMICAL SOC, Vol. 82, No. 3, p. 1380-1388, 2017/02
  • Role of a singlet diradical character in carbon nanomaterials: a novel hot spot for efficient nonlinear optical materials, Shabbir Muhammad,Masayoshi Nakano,Abdullah G. Al-Sehemi,Yasutaka Kitagawa,Ahmad Irfan,Aijaz R. Chaudhry,Ryohei Kishi,Soichi Ito,Kyohei Yoneda,Kotaro Fukuda, NANOSCALE, ROYAL SOC CHEMISTRY, Vol. 8, No. 42, p. 17998-18020, 2016/11
  • A Puckered Singlet Cyclopentane-1,3-diyl: Detection of the Third Isomer in Homolysis, Jianhuai Ye,Sayaka Hatano,Manabu Abe,Ryohei Kishi,Yusuke Murata,Masayoshi Nakano,Waldemar Adam, CHEMISTRY-A EUROPEAN JOURNAL, WILEY-V C H VERLAG GMBH, Vol. 22, No. 7, p. 2299-2306, 2016/02
  • Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries, Yasuyuki Imada,Hideyuki Nakano,Ko Furukawa,Ryohei Kishi,Masayoshi Nakano,Hitoshi Maruyama,Masaaki Nakamoto,Akira Sekiguchi,Masahiro Ogawa,Toshiaki Ohta,Yohsuke Yamamoto, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, AMER CHEMICAL SOC, Vol. 138, No. 2, p. 479-482, 2016/01
  • Diradical Character Tuning for the Third-Order Nonlinear Optical Properties of Quinoidal Oligothiophenes by Introducing Thiophene-S,S-dioxide Rings, Ryohei Kishi,Shoki Ochi,Shioh Izumi,Akihiro Makino,Takanori Nagami,Jun-ya Fujiyoshi,Naoyuki Matsushita,Michika Saito,Masayoshi Nakano, CHEMISTRY-A EUROPEAN JOURNAL, WILEY-V C H VERLAG GMBH, Vol. 22, No. 4, p. 1493-1500, 2016/01
  • Diradical character and nonlinear optical properties of buckyferrocenes: focusing on the use of suitably modified fullerene fragments, Shabbir Muhammad,Soichi Ito,Masayoshi Nakano,Ryohei Kishi,Kyohei Yoneda,Yasutaka Kitagawa,Mohd Shkir,Ahmad Irfan,Aijaz R. Chaudhry,Salem AlFaify,Abul Kalam,Abdullah G. Al-Sehemi, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ROYAL SOC CHEMISTRY, Vol. 17, No. 8, p. 5805-5816, 2015
  • Theoretical design of solvatochromism switching by photochromic reactions using donor-acceptor disubstituted diarylethene derivatives with oxidized thiophene rings, Katsuki Okuno,Yasuteru Shigeta,Ryohei Kishi,Masayoshi Nakano, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ROYAL SOC CHEMISTRY, Vol. 17, No. 9, p. 6484-6494, 2015
  • Theoretical Study on Diradical Characters and Nonlinear Optical Properties of 1,3-Diradical Compounds, Ryohei Kishi,Yusuke Murata,Michika Saito,Keisuke Morita,Manabu Abe,Masayoshi Nakano, JOURNAL OF PHYSICAL CHEMISTRY A, AMER CHEMICAL SOC, Vol. 118, No. 45, p. 10837-10848, 2014/11
  • Open-Shell Character and Second Hyperpolarizabilities of One-Dimensional Chromium(II) Chains: Size Dependence and Bond-Length Alternation Effect, Hitoshi Fukui,Shota Takamuku,Taishi Yamada,Kotaro Fukuda,Taku Takebayashi,Yasuteru Shigeta,Ryohei Kishi,Benoit Champagne,Masayoshi Nakano, INORGANIC CHEMISTRY, AMER CHEMICAL SOC, Vol. 53, No. 16, p. 8700-8707, 2014/08
  • Open-shell characters and second hyperpolarizabilities for hexagonal graphene nanoflakes including boron nitride domains, Kyohei Yoneda,Hiroshi Matsui,Kotaro Fukuda,Shota Takamuku,Ryohei Kishi,Masayoshi Nakano, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 595, p. 220-225, 2014/03
  • Finite-Field Method with Unbiased Polarizable Continuum Model for Evaluation of the Second Hyperpolarizability of an Open-Shell Singlet Molecule in Solvents, Tomoya Inui,Yasuteru Shigeta,Katsuki Okuno,Takeshi Baba,Ryohei Kishi,Masayoshi Nakano, JOURNAL OF COMPUTATIONAL CHEMISTRY, WILEY-BLACKWELL, Vol. 34, No. 27, p. 2345-2352, 2013/10
  • Theoretical Study on the Electronic Structure and Third-Order Nonlinear Optical Properties of Open-Shell Quinoidal Oligothiophenes, Ryohei Kishi,Misha Dennis,Kotaro Fukuda,Yusuke Murata,Keisuke Morita,Hideki Uenaka,Masayoshi Nakano, JOURNAL OF PHYSICAL CHEMISTRY C, AMER CHEMICAL SOC, Vol. 117, No. 41, p. 21498-21508, 2013/10
  • Photochromic switching of diradical character: Design of efficient nonlinear optical switches, Katsuki Okuno,Yasuteru Shigeta,Ryohei Kishi,Masayoshi Nakano, Journal of Physical Chemistry Letters, Vol. 4, No. 15, p. 2418-2422, 2013/08/01
  • Comparative study of diradical characters and third-order nonlinear optical properties of linear/cyclic acenes versus phenylenes, Shabbir Muhammad,Takuya Minami,Hitoshi Fukui,Kyohei Yoneda,Shu Minamide,Ryohei Kishi,Yasuteru Shigeta,Masayoshi Nakano, International Journal of Quantum Chemistry, Vol. 113, No. 4, p. 592-598, 2013/02/15
  • Quantal cumulant mechanics and dynamics for multidimensional quantum many-body clusters, Yasuteru Shigeta,Tomoya Inui,Takeshi Baba,Katsuki Okuno,Hiroyuki Kuwabara,Ryohei Kishi,Masayoshi Nakano, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, WILEY-BLACKWELL, Vol. 113, No. 3, p. 348-355, 2013/02
  • Antidot effects on the open-shell characters and second hyperpolarizabilities of rectangular graphene nanoflakes, Kyohei Yoneda,Shu Minamide,Taishi Yamada,Soichi Ito,Takuya Minami,Ryohei Kishi,Yasuteru Shigeta,Masayoshi Nakano, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, WILEY-BLACKWELL, Vol. 113, No. 4, p. 605-611, 2013/02
  • Diradicalology in third-order nonlinear optical systems: Second hyperpolarizabilities of acetylene-linked phenalenyl-based superpolyenes, Masayoshi Nakano,Ryohei Kishi,Hitoshi Fukui,Takuya Minami,Kyohei Yoneda,Shu Minamide,Yudai Inoue,Taishi Yamada,Soichi Ito,Shabbir Muhammad,Yasuteru Shigeta,Takashi Kubo,Benoit Champagne, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, WILEY-BLACKWELL, Vol. 113, No. 4, p. 585-591, 2013/02
  • Non-empirical tuning of CAM-B3LYP functional in time-dependent density functional theory for excitation energies of diarylethene derivatives, Katsuki Okuno,Yasuteru Shigeta,Ryohei Kishi,Masayoshi Nakano, Chemical Physics Letters, Elsevier B.V., Vol. 585, p. 201-206, 2013
  • Impact of Diradical Character on Two-Photon Absorption: Bis(acridine) Dimers Synthesized from an Allenic Precursor, Kenji Kamada,Shin-ichi Fuku-en,Shu Minamide,Koji Ohta,Ryohei Kishi,Masayoshi Nakano,Hiroyuki Matsuzaki,Hiroshi Okamoto,Hiroyuki Higashikawa,Katsuya Inoue,Satoshi Kojima,Yohsuke Yamamoto, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, AMER CHEMICAL SOC, Vol. 135, No. 1, p. 232-241, 2013/01
  • Interplay between the Diradical Character and Third-Order Nonlinear Optical Properties in Fullerene Systems, Shabbir Muhammad,Kotaro Fukuda,Takuya Minami,Ryohei Kishi,Yasuteru Shigeta,Masayoshi Nakano, CHEMISTRY-A EUROPEAN JOURNAL, WILEY-V C H VERLAG GMBH, Vol. 19, No. 5, p. 1677-1685, 2013/01
  • Synthesis and Characterization of Quarteranthene: Elucidating the Characteristics of the Edge State of Graphene Nanoribbons at the Molecular Level, Akihito Konishi,Yasukazu Hirao,Kouzou Matsumoto,Hiroyuki Kurata,Ryohei Kishi,Yasuteru Shigeta,Masayoshi Nakano,Kazuya Tokunaga,Kenji Kamada,Takashi Kubo, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, AMER CHEMICAL SOC, Vol. 135, No. 4, p. 1430-1437, 2013/01
  • Indeno[2,1-b]fluorene: A 20-pi-Electron Hydrocarbon with Very Low-Energy Light Absorption, Akihiro Shimizu,Ryohei Kishi,Masayoshi Nakano,Daisuke Shiomi,Kazunobu Sato,Takeji Takui,Ichiro Hisaki,Mikiji Miyata,Yoshito Tobe, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, WILEY-V C H VERLAG GMBH, Vol. 52, No. 23, p. 6076-6079, 2013
  • Challenging compounds for calculating hyperpolarizabilities: P-quinodimethane derivatives, Marc De Wergifosse,Frédéric Wautelet,Benoiît Champagne,Ryohei Kishi,Kotaro Fukuda,Hiroshi Matsui,Masayoshi Nakano, Journal of Physical Chemistry A, Vol. 117, No. 22, p. 4709-4715, 2013
  • A new type of organic-inorganic hybrid NLO-phore with large off-diagonal first hyperpolarizability tensors: a two-dimensional approach, Shabbir Muhammad,Hongliang Xu,Zhongmin Su,Kotaro Fukuda,Ryohei Kishi,Yasuteru Shigeta,Masayoshi Nakano, DALTON TRANSACTIONS, ROYAL SOC CHEMISTRY, Vol. 42, No. 42, p. 15053-15062, 2013
  • 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, Hitoshi Fukui,Yudai Inoue,Taishi Yamada,Soichi Ito,Yasuteru Shigeta,Ryohei Kishi,Benoit Champagne,Masayoshi Nakano, JOURNAL OF PHYSICAL CHEMISTRY A, AMER CHEMICAL SOC, Vol. 116, No. 22, p. 5501-5509, 2012/06
  • Tuned CAM-B3LYP functional in the time-dependent density functional theory scheme for excitation energies and properties of diarylethene derivatives, Katsuki Okuno,Yasuteru Shigeta,Ryohei Kishi,Hiroshi Miyasaka,Masayoshi Nakano, JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, ELSEVIER SCIENCE SA, Vol. 235, p. 29-34, 2012/05
  • Development of Calculation and Analysis Methods for the Dynamic First Hyperpolarizability Based on the Ab Initio Molecular Orbital - Quantum Master Equation Method, Ryohei Kishi,Hiroaki Fujii,Shingo Kishimoto,Yusuke Murata,Soichi Ito,Katsuki Okuno,Yasuteru Shigeta,Masayoshi Nakano, JOURNAL OF PHYSICAL CHEMISTRY A, AMER CHEMICAL SOC, Vol. 116, No. 17, p. 4371-4380, 2012/05
  • 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,Kyohei Yoneda,Ryohei Kishi,Yasuteru Shigeta,Masayoshi Nakano, JOURNAL OF PHYSICAL CHEMISTRY A, AMER CHEMICAL SOC, Vol. 116, No. 5, p. 1417-1424, 2012/02
  • Full configuration interaction calculations of the second hyperpolarizabilities of the H-4 model compound: Summation-over-states analysis and interplay with diradical characters, Masayoshi Nakano,Takuya Minami,Hitoshi Fukui,Ryohei Kishi,Yasuteru Shigeta,Benoit Champagne, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 136, No. 2, 2012/01
  • Tuned long-range corrected density functional theory method for evaluating the second hyperpolarizabilities of open-shell singlet metal-metal bonded systems, Hitoshi Fukui,Yudai Inoue,Ryohei Kishi,Yasuteru Shigeta,Benoit Champagne,Masayoshi Nakano, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 523, p. 60-64, 2012/01
  • Theoretical Aspects on the Evaluation and Interpretation of the Third-Order Nonlinear Optical Properties of Diradical Compounds, Benoit Champagne,Edith Botek,Akihiro Shimizu,Takashi Kubo,Kenji Kamada,Koji Ohta,Ryohei Kishi,Hitoshi Fukui,Hideaki Takahashi,Masayoshi Nakano, INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009 (ICCMSE 2009), AMER INST PHYSICS, Vol. 1504, p. 844-847, 2012
  • Broken-Symmetry MO-CI Quantum Master Equation Approach to Exciton Dynamics in Open-Shell Singlet Systems, Ryohei Kishi,Takuya Minami,Kyohei Yoneda,Masayoshi Nakano, INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009 (ICCMSE 2009), AMER INST PHYSICS, Vol. 1504, p. 875-878, 2012
  • Electron Donor Solvent Effects on the (Hyper) Polarizabilities of a Solute Presenting Singlet Diradical Character, Hideaki Takahashi,Kazuki Kubota,Hitoshi Fukui,Sean Bonness,Kyohei Yoneda,Ryohei Kishi,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek,Masayoshi Nakano, INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009 (ICCMSE 2009), AMER INST PHYSICS, Vol. 1504, p. 899-902, 2012
  • One- and Two-Photon Absorptions in Open-Shell Singlet Systems, Masayoshi Nakano,Kyohei Yoneda,Ryohei Kishi,Hideaki Takahashi,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek, INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009 (ICCMSE 2009), AMER INST PHYSICS, Vol. 1504, p. 136-142, 2012
  • Long-Range-Corrected UDFT Study on Second Hyperpolarizabilities of Open-Shell Singlet Systems, Ryohei Kishi,Sean Bonness,Kyohei Yoneda,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek,Takao Tsuneda,Masayoshi Nakano, INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009 (ICCMSE 2009), AMER INST PHYSICS, Vol. 1504, p. 651-654, 2012
  • Oscillatory and Rotatory Exciton Recurrence Motions in Double-Ring Molecular Aggregates Controlled by Two-Mode Circular-Polarized Laser Field, Takuya Minami,Kyohei Yoneda,Ryohei Kishi,Masayoshi Nakano, INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009 (ICCMSE 2009), AMER INST PHYSICS, Vol. 1504, p. 691-694, 2012
  • Erratum to: (Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers (Theor Chem Acc, DOI 10.1007/s00214-010-0871-y), Masayoshi Nakano,Hitoshi Fukui,Takuya Minami,Kyohei Yoneda,Yasuteru Shigeta,Ryohei Kishi,Benoît Champagne,Edith Botek,Takashi Kubo,Koji Ohta,Kenji Kamada, Theoretical Chemistry Accounts, Vol. 130, No. 4-6, p. 725-726, 2011/12
  • (Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers, Masayoshi Nakano,Hitoshi Fukui,Takuya Minami,Kyohei Yoneda,Yasuteru Shigeta,Ryohei Kishi,Benoit Champagne,Edith Botek,Takashi Kubo,Koji Ohta,Kenji Kamada, THEORETICAL CHEMISTRY ACCOUNTS, SPRINGER, Vol. 130, No. 4-6, p. 711-724, 2011/12
  • Third-Order Nonlinear Optical Properties of Open-Shell Supermolecular Systems Composed of Acetylene Linked Phenalenyl Radicals, Masayoshi Nakano,Ryohei Kishi,Kyohei Yoneda,Yudai Inoue,Tomoya Inui,Yasuteru Shigeta,Takashi Kubo,Benoit Champagne, JOURNAL OF PHYSICAL CHEMISTRY A, AMER CHEMICAL SOC, Vol. 115, No. 31, p. 8767-8777, 2011/08
  • The QM/MM-ER Studies for the Origin of the Antioxidative Properties of MCI-186 in Aqueous Solutions, Hideaki Takahashi,Yuichi Iwata,Ryohei Kishi,Masayoshi Nakano, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, WILEY-BLACKWELL, Vol. 111, No. 7-8, p. 1748-1762, 2011/06
  • Giant Enhancement of the Second Hyperpolarizabilities of Open-Shell Singlet Polyaromatic Diphenalenyl Diradicaloids by an External Electric Field and Donor-Acceptor Substitution, Masayoshi Nakano,Takuya Minami,Kyohei Yoneda,Shabbir Muhammad,Ryohei Kishi,Yasuteru Shigeta,Takashi Kubo,Lea Rougier,Benoit Champagne,Kenji Kamada,Koji Ohta, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, AMER CHEMICAL SOC, Vol. 2, No. 9, p. 1094-1098, 2011/05
  • Quantum Master Equation Method Based on the Broken-Symmetry Time-Dependent Density Functional Theory: Application to Dynamic Polarizability of Open-Shell Molecular Systems, Ryohei Kishi,Masayoshi Nakano, JOURNAL OF PHYSICAL CHEMISTRY A, AMER CHEMICAL SOC, Vol. 115, No. 15, p. 3565-3575, 2011/04
  • Approximate spin-projected spin-unrestricted density functional theory method: Application to the diradical character dependences of the (hyper) polarizabilities in p-quinodimethane models, Masayoshi Nakano,Takuya Minami,Hitoshi Fukui,Kyohei Yoneda,Yasuteru Shigeta,Ryohei Kishi,Benoit Champagne,Edith Botek, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 501, No. 1-3, p. 140-145, 2010/12
  • 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, Sean Bonness,Hitoshi Fukui,Kyohei Yoneda,Ryohei Kishi,Benoit Champagne,Edith Botek,Masayoshi Nakano, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 493, No. 1-3, p. 195-199, 2010/06
  • Exciton Recurrence Motion in Double-Ring Molecular Aggregates Induced by Two-Mode Circular-Polarized Laser Field, Takuya Minami,Kyohei Yoneda,Ryohei Kishi,Hideaki Takahashi,Masayoshi Nakano, JOURNAL OF PHYSICAL CHEMISTRY C, AMER CHEMICAL SOC, Vol. 114, No. 13, p. 6067-6076, 2010/04
  • Signature of multiradical character in second hyperpolarizabilities of rectangular graphene nanoflakes, Hiroshi Nagai,Masayoshi Nakano,Kyohei Yoneda,Ryohei Kishi,Hideaki Takahashi,Akihiro Shimizu,Takashi Kubo,Kenji Kamada,Koji Ohta,Edith Botek,Benoit Champagne, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 489, No. 4-6, p. 212-218, 2010/04
  • The Exchange-Energy Density Functional Based on the Modified Becke-Roussel Model, Hideaki Takahashi,Ryohei Kishi,Masayoshi Nakano, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, AMER CHEMICAL SOC, Vol. 6, No. 3, p. 647-661, 2010/03
  • Singlet Diradical Character from Experiment, Kenji Kamada,Koji Ohta,Akihiro Shimizu,Takashi Kubo,Ryohei Kishi,Hideaki Takahashi,Edith Botek,Benoit Champagne,Masayoshi Nakano, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, AMER CHEMICAL SOC, Vol. 1, No. 6, p. 937-940, 2010/03
  • Long-range corrected density functional theory study on static second hyperpolarizabilities of singlet diradical systems, Ryohei Kishi,Sean Bonness,Kyohei Yoneda,Hideaki Takahashi,Masayoshi Nakano,Edith Botek,Benoit Champagne,Takashi Kubo,Kenji Kamada,Koji Ohta,Takao Tsuneda, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 132, No. 9, 2010/03
  • Control of third-order nonlinear optical properties of singlet diradical square planar metal complexes involving o-semiquinonato type ligands, H. Fukui,H. Nagai,R. Kishi,T. Minami,H. Takahashi,T. Kubo,M. Nakano, SYNTHETIC METALS, ELSEVIER SCIENCE SA, Vol. 159, No. 21-22, p. 2416-2418, 2009/11
  • Third-order nonlinear optical properties of open-shell singlet molecular aggregates composed of diphenalenyl diradicals, M. Nakano,H. Fukui,H. Nagai,T. Minami,R. Kishi,H. Takahashi, SYNTHETIC METALS, ELSEVIER SCIENCE SA, Vol. 159, No. 21-22, p. 2413-2415, 2009/11
  • Ab initio MO-CI based quantum master equation approach: Exciton dynamics of weakly and strongly coupled J-type aggregates, Ryohei Kishi,Masayoshi Nakano,Takuya Minami,Hitoshi Fukui,Hiroshi Nagai,Kyohei Yoneda,Hideaki Takahashi, SYNTHETIC METALS, ELSEVIER SCIENCE SA, Vol. 159, No. 21-22, p. 2194-2197, 2009/11
  • Hydration effects on the reaction with an open-shell transition state: QM/MM-ER study for the dehydration reaction of alcohol in hot water, Hideaki Takahashi,Fumihiro Miki,Hajime Ohno,Ryohei Kishi,Suguru Ohta,Shin-ichi Furukawa,Masayoshi Nakano, JOURNAL OF MATHEMATICAL CHEMISTRY, SPRINGER, Vol. 46, No. 3, p. 781-794, 2009/10
  • Third-order nonlinear optical properties of trigonal, rhombic and bow-tie graphene nanoflakes with strong structural dependence of diradical character, Kyohei Yoneda,Masayoshi Nakano,Ryohei Kishi,Hideaki Takahashi,Akihiro Shimizu,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 480, No. 4-6, p. 278-283, 2009/10
  • Theoretical Study on Exciton Dynamics in Dendritic Systems: Exciton Recurrence and Migration, Masayoshi Nakano,Ryohei Kishi,Takuya Minami,Kyohei Yoneda, MOLECULES, MOLECULAR DIVERSITY PRESERVATION INTERNATIONAL-MDPI, Vol. 14, No. 9, p. 3700-3718, 2009/09
  • Electron donor solvent effects on the (hyepr)polarizabilities of a singlet diradical molecule involving a boron atom (vol 477, pg 309, 2009), Kazuki Kubota,Hideaki Takahashi,Hitoshi Fukui,Sean Bonness,Kyohei Yoneda,Ryohei Kishi,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek,Masayoshi Nakano, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 479, No. 1-3, p. 171-171, 2009/09
  • Remarkable two-photon absorption in open-shell singlet systems, Masayoshi Nakano,Kyohei Yoneda,Ryohei Kishi,Hideaki Takahashi,Takashi Kubo,Kenji Kamada,Koji Ohta,Edith Botek,Benoit Champagne, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 131, No. 11, 2009/09
  • Electron donor solvent effects on the (hyper)polarizabilities of a singlet diradical molecule involving a boron atom, Kazuki Kubota,Hideaki Takahashi,Hitoshi Fukui,Sean Bonness,Kyohei Yoneda,Ryohei Kishi,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek,Masayoshi Nakano, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 477, No. 4-6, p. 309-314, 2009/08
  • Theoretical study on third-order nonlinear optical properties in hexagonal graphene nanoflakes: Edge shape effect, Hiroshi Nagai,Masayoshi Nakano,Kyohei Yoneda,Hitoshi Fukui,Takuya Minami,Sean Bonness,Ryohei Kishi,Hideaki Takahashi,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 477, No. 4-6, p. 355-359, 2009/08
  • Theoretical Study on Exciton Recurrence Motion in Anthracene Dimer Using the Ab Initio MO-CI Based Quantum Master Equation Approach, Ryohei Kishi,Masayoshi Nakano,Takuya Minami,Hitoshi Fukui,Hiroshi Nagai,Kyohei Yoneda,Hideaki Takahashi, JOURNAL OF PHYSICAL CHEMISTRY A, AMER CHEMICAL SOC, Vol. 113, No. 18, p. 5455-5462, 2009/05
  • Theoretical study on open-shell nonlinear optical molecular systems and a development of a novel computational scheme of exciton dynamics, Masayoshi Nakano,Ryohei Kishi,Hitoshi Fukui,Takuya Minami,Hiroshi Nagai,Kyohei Yoneda,Sean Bonness,Hideaki Takahashi, International Journal of Nanoscience, Vol. 8, p. 123-129, 2009/02/01
  • Quantum Master Equation Approach to Exciton Recurrence Motion in Ring-Shaped Aggregate Complexes Induced by Linear- and Circular-Polarized Laser Fields, Takuya Minami,Hitoshi Fukui,Hiroshi Nagai,Kyohei Yoneda,Ryohei Kishi,Hideaki Takahashi,Masayoshi Nakano, JOURNAL OF PHYSICAL CHEMISTRY C, AMER CHEMICAL SOC, Vol. 113, No. 8, p. 3332-3338, 2009/02
  • Third-Order Nonlinear Optical Properties of Open-Shell Systems: Diradical Character and Spin State Dependences, Masayoshi Nakano,Hitoshi Fukui,Hiroshi Nagai,Takuya Minami,Ryohei Kishi,Hideaki Takahashi,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek, COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING, VOL 1, AMER INST PHYSICS, Vol. 1108, p. 43-+, 2009
  • Quantum Master Equation Approach to Exciton Recurrence Motion in a Ring-Shaped Aggregate Complex Induced by Circular-Polarized Laser Field, Takuya Minami,Hitoshi Fukui,Hiroshi Nagai,Kyohei Yoneda,Ryohei Kishi,Hideaki Takahashi,Masayoshi Nakano, COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING, VOL 2, AMER INST PHYSICS, Vol. 1148, p. 330-333, 2009
  • A Novel Quantum Chemical Approach to the Computation of the Solvation Free Energy of a Biological Molecule with Structural Flexibility, Hideaki Takahashi,Yuichi Iwata,Ryohei Kishi,Masayoshi Nakano, COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING, VOL 2, AMER INST PHYSICS, Vol. 1148, p. 338-341, 2009
  • Theoretical study of third-order nonlinear optical properties in square nanographenes with open-shell singlet ground states, Masayoshi Nakano,Hiroshi Nagai,Hitoshi Fukui,Kyohei Yoneda,Ryohei Kishi,Hideaki Takahashi,Akihiro Shimizu,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 467, No. 1-3, p. 120-125, 2008/12
  • Computation of the free energy change associated with one-electron reduction of coenzyme immersed in water: A novel approach within the framework of the quantum mechanical/molecular mechanical method combined with the theory of energy representation, Hideaki Takahashi,Hajime Ohno,Ryohei Kishi,Masayoshi Nakano,Nobuyuki Matubayasi, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 129, No. 20, 2008/11
  • Exciton Dynamics of Molecular Aggregate Systems Composed of Triangular Lattice Units: Structural Dependence of Exciton Migration and Recurrence, Takuya Minami,Masayoshi Nakano,Hitoshi Fukui,Hiroshi Nagai,Ryohei Kishi,Hideaki Takahashi, JOURNAL OF PHYSICAL CHEMISTRY C, AMER CHEMICAL SOC, Vol. 112, No. 42, p. 16675-16681, 2008/10
  • Theoretical study on second hyperpolarizabilities of singlet diradical square planar nickel complexes involving o-semiquinonato type ligands, Hitoshi Fukui,Ryohei Kishi,Takuya Minami,Hiroshi Nagai,Hideaki Takahashi,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek,Masayoshi Nakano, JOURNAL OF PHYSICAL CHEMISTRY A, AMER CHEMICAL SOC, Vol. 112, No. 36, p. 8423-8429, 2008/09
  • A novel dynamic exciton expression based on the ab initio MO CI based quantum master equation approach, Masayoshi Nakano,Ryohei Kishi,Takuya Minami,Hitoshi Fukui,Hiroshi Nagai,Kyohei Yoneda,Hideaki Takahashi, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 460, No. 1-3, p. 370-374, 2008/07
  • Core molecule dependence of energy migration in phenylacetylene nanostar dendrimers: Ab initio molecular orbital-configuration interaction based quantum master equation study, Ryohei Kishi,Takuya Minami,Hitoshi Fukui,Hideaki Takahashi,Masayoshi Nakano, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 128, No. 24, 2008/06
  • Computation of the reduction free energy of coenzyme in aqueous solution by the QM/MM-ER method, Hideaki Takahashi,Hajime Ohno,Ryohei Kishi,Masayoshi Nakano,Nobuyuki Matubayasi, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 456, No. 4-6, p. 176-180, 2008/05
  • Intermolecular interaction effects on the second hyperpolarizability of open-shell singlet diphenalenyl radical dimer, Masayoshi Nakano,Akihito Takebe,Ryohei Kishi,Hitoshi Fukui,Takuya Minami,Kazuki Kubota,Hideaki Takahashi,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 454, No. 1-3, p. 97-104, 2008/03
  • Cooperative effects in static polarizabilities and second hyperpolarizabilities of hydrogen-bonded 4-pyridones, Ryohei Kishi,Shin-ya Umezaki,Hitoshi Fukui,Takuya Minami,Kazuki Kubota,Hideaki Takahashi,Masayoshi Nakano, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 454, No. 1-3, p. 91-96, 2008/03
  • Investigation of the dominant hydration structures among the ionic species in aqueous solution: Novel quantum mechanics/molecular mechanics simulations combined with the theory of energy representation, Hideaki Takahashi,Hajime Ohno,Toshihiko Yamauchi,Ryohei Kishi,Shin-ichi Furukawa,Masayoshi Nakano,Nobuyuki Matubayasi, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 128, No. 6, 2008/02
  • Theoretical study on the second hyperpolarizability of open-shell singlet one-dimensional systems with a charged defect, Akihito Takebe,Masayoshi Nakano,Ryohei Kishi,Masahito Nate,Hideaki Takahashi,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 451, No. 1-3, p. 111-115, 2008/01
  • Spin State Dependence of Second Hyperpolarizabilities of Zethrenes, Masayoshi Nakano,Ryohei Kishi,Akihito Takebe,Masahito Nate,Hideaki Takahashi,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek, SELECTED PAPERS FROM ICNAAM 2007 AND ICCMSE 2007, AMER INST PHYSICS, Vol. 1046, p. 15-+, 2008
  • Computation of the Reduction Free Energy of Coenzyme in Water: A Novel Approach within the Framework of the QM/MM-ER Method, Hideaki Takahashi,Hajime Ohno,Ryohei Kishi,Shin-ichi Furukawa,Masayoshi Nakano, SELECTED PAPERS FROM ICNAAM 2007 AND ICCMSE 2007, AMER INST PHYSICS, Vol. 1046, p. 56-59, 2008
  • Molecular orientation effects on two-photon absorption spectra of dimer systems, Suguru Ohta,Masayoshi Nakano,Masahito Nate,Ryohei Kishi,Hideaki Takahashi, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 448, No. 1-3, p. 99-105, 2007/11
  • Finite-field spin-flip configuration interaction calculation of the second hyperpolarizabilities of singlet diradical systems, Ryohei Kishi,Masayoshi Nakano,Suguru Ohta,Akihito Takebe,Masahito Nate,Hideaki Takahashi,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, AMER CHEMICAL SOC, Vol. 3, No. 5, p. 1699-1707, 2007/09
  • Second hyperpolarizabilities of singlet polycyclic diphenalenyl radicals: Effects of the nature of the central heterocyclic ring and substitution to diphenalenyl rings, Masayoshi Nakano,Nozomi Nakagawa,Ryohei Kishi,Suguru Ohta,Masahito Nate,Hideaki Takahashi,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek,Yasushi Morita,Kazuhiro Nakasuji,Kizashi Yamaguchi, JOURNAL OF PHYSICAL CHEMISTRY A, AMER CHEMICAL SOC, Vol. 111, No. 37, p. 9102-9110, 2007/09
  • Relationship between third-order nonlinear optical properties and magnetic interactions in open-shell systems: A new paradigm for nonlinear optics, Masayoshi Nakano,Ryohei Kishi,Suguru Ohta,Hideaki Takahashi,Takashi Kubo,Kenji Kamada,Koji Ohta,Edith Botek,Benoit Champagne, PHYSICAL REVIEW LETTERS, AMER PHYSICAL SOC, Vol. 99, No. 3, 2007/07
  • First and second hyperpolarizabilities of donor-acceptor disubstituted diphenalenyl radical systems, Masayoshi Nakano,Suguru Ohta,Kazuya Tokushima,Ryohei Kishi,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek,Hideaki Takahashi, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 443, No. 1-3, p. 95-101, 2007/07
  • Theoretical study on the second hyperpolarizabilities of phenalenyl radical systems involving acetylene and vinylene linkers: Diradical character and spin multiplicity dependences, Suguru Ohta,Masayoshi Nakano,Takashi Kubo,Kenji Kamada,Koji Ohta,Ryohei Kishi,Nozomi Nakagawa,Benoit Champagne,Edith Botek,Akihito Takebe,Shin-ya Umezaki,Masahito Nate,Hideaki Takahashi,Shin-ichi Furukawa,Yasushi Morita,Kazuhiro Nakasuji,Kizashi Yamaguchi, JOURNAL OF PHYSICAL CHEMISTRY A, AMER CHEMICAL SOC, Vol. 111, No. 18, p. 3633-3641, 2007/05
  • Novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: Free energy calculation for the Beckmann rearrangement promoted by proton transfers in the supercritical water, Hideaki Takahashi,Kohsuke Tanabe,Masataka Aketa,Ryohei Kishi,Shin-ichi Furukawa,Masayoshi Nakano, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 126, No. 8, 2007/02
  • Strong two-photon absorption of singlet diradical hydrocarbons, Kenji Kamada,Koji Ohta,Takashi Kubo,Akihiro Shimizu,Yasushi Morita,Kazuhiro Nakasuji,Ryohei Kishi,Suguru Ohta,Shin-ichi Furukawa,Hideaki Takahashi,Masayoshi Nakano, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, WILEY-V C H VERLAG GMBH, Vol. 46, No. 19, p. 3544-3546, 2007
  • Second hyperpolarizabilities (gamma) of 1,3-dipole systems: Diradical character dependence of gamma, Masayoshi Nakano,Ryohei Kishi,Akihito Takebe,Masahito Nate,Hideaki Takahashi,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek, COMPUTATION IN MODERN SCIENCE AND ENGINEERING VOL 2, PTS A AND B, AMER INST PHYSICS, Vol. 2, p. 102-+, 2007
  • Exciton recurrence motion in aggregate systems in the presence of quantized optical fields, Masayoshi Nakano,Suguru Ohta,Ryohei Kishi,Masahito Nate,Hideaki Takahashi,Shin-Ichi Furukawa,Hiroya Nitta,Kizashi Yamaguchi, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 125, No. 23, 2006/12
  • Second hyperpolarizabilities (gamma) of open-shell singlet one-dimensional systems: Intersite interaction effects on the average diradical character and size dependences of gamma, Masayoshi Nakano,Akihito Takebe,Ryohei Kishi,Suguru Ohta,Masahito Nate,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek,Hideaki Takahashi,Shin-ichi Furukawa,Yasushi Morita,Kazuhiro Nakasuji, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 432, No. 4-6, p. 473-479, 2006/12
  • Second hyperpolarizabilities of polycyclic diphenalenyl radicals: Effects of para/ortho-quinoid structures and central ring modification, Masayoshi Nakano,Nozomi Nakagawa,Suguru Ohta,Ryohei Kishi,Takashi Kubo,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek,Hideaki Takahashi,Shin-ichi Furukawa,Yasushi Morita,Kazuhiro Nakasuji,Kizashi Yamaguchi, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 429, No. 1-3, p. 174-179, 2006/09
  • Origin of the enhancement of the second hyperpolarizability of singlet diradical systems with intermediate diradical character, Masayoshi Nakano,Ryohei Kishi,Suguru Ohta,Akihito Takebe,Hideaki Takahashi,Shin-ichi Furukawa,Takashi Kubo,Yasushi Morita,Kazuhiro Nakasuji,Kizashi Yamaguchi,Kenji Kamada,Koji Ohta,Benoit Champagne,Edith Botek, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 125, No. 7, 2006/08
  • Monte Carlo wavefunction approach to the dissipative quantum-phase dynamics of two-component Bose-Einstein condensates, M Nakano,S Ohta,R Kishi,H Takahashi,S Furukawa, EUROPEAN PHYSICAL JOURNAL D, SPRINGER, Vol. 38, No. 3, p. 523-532, 2006/06
  • Theoretical study on the second hyperpolarizabilities of tetrathiafulvalene (TTF) and tetrathiapentalene (TTP) using highly correlated ab initio MO and the density functional theory methods, S Yamada,M Nakano,R Kishi,S Ohta,H Takahashi,S Furukawa,T Nitta,K Yamaguchi, SYNTHETIC METALS, ELSEVIER SCIENCE SA, Vol. 156, No. 5-6, p. 375-378, 2006/03
  • Second hyperpolarizability of phenalenyl radical system involving acetylene pi-conjugated bridge, S Ohta,M Nakano,T Kubo,K Kamada,K Ohta,R Kishi,N Nakagawa,B Champagne,E Botek,SY Umezaki,A Takebe,H Takahashi,SI Furukawa,Y Morita,K Nakasuji,K Yamaguchi, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 420, No. 4-6, p. 432-437, 2006/03
  • Second hyperpolarizabilities (gamma) of bisimidazole and bistriazole benzenes: Diradical character, charged state, and spin state dependences, M Nakano,R Kishi,N Nakagawa,S Ohta,H Takahashi,SI Furukawa,K Kamada,K Ohta,B Champagne,E Botek,S Yamada,K Yamaguchi, JOURNAL OF PHYSICAL CHEMISTRY A, AMER CHEMICAL SOC, Vol. 110, No. 12, p. 4238-4243, 2006/03
  • Monte Carlo wavefunction approach to the exciton dynamics of molecular aggregates with exciton-phonon coupling, S Ohta,M Nakano,R Kishi,H Takahashi,S Furukawa, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 419, No. 1-3, p. 70-74, 2006/02
  • A novel quantum chemical approach to the free energy calculation for the one-electron reduction of coenzyme in solution and biological system, Hideaki Takahashi,Hajime Ohno,Ryohei Kishi,Suguru Ohta,Shin-ichi Furukawa,Masayoshi Nakano, RECENT PROGRESS IN COMPUTATIONAL SCIENCES AND ENGINEERING, VOLS 7A AND 7B, VSP BV-C/O BRILL ACAD PUBL, Vol. 7A-B, p. 1533-1535, 2006
  • Intermolecular interaction effects on second hyperpolarizabilities of clusters including charged species, Masayoshi Nakano,Ryohei Kishi,Nozomi Nakagawa,Suguru Ohta,Hideaki Takahashi,Shin Ichi Furukawa, Journal of Computational Methods in Sciences and Engineering, Vol. 6, p. 211-222, 2006/01/01
  • Second hyperpolarizabilities of polycyclic aromatic hydrocarbons involving phenalenyl radical units, M Nakano,T Kubo,K Kamada,K Ohta,R Kishi,S Ohta,N Nakagawa,H Takahashi,S Furukawa,Y Morita,K Nakasuji,K Yamaguchi, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 418, No. 1-3, p. 142-147, 2006/01
  • Theoretical study on nonlinear optical (NLO) properties of modified DNA bases, Satoru Yamada,Masayoshi Nakano,Ryohei Kishib,Tomoshige Nitta,Kizashi Yamaguchi, Nonlinear Optics Quantum Optics, Vol. 34, p. 115-119, 2005/12/19
  • A novel control scheme of second hyperpolarizabilities for azulene derivatives, Nozomi Nakagawa,Ryohei Kishi,Masayoshi Nakano,Tomoshige Nitta,Takashi Kubo,Kazuhiro Nakasuji,Kenji Kamada,Koji Ohta,Kizashi Yamaguchi, Nonlinear Optics Quantum Optics, Vol. 34, p. 37-40, 2005/12/19
  • Spin state dependence of second hyperpolarizabilities of diradical molecules, Ryohei Kishi,Masayoshi Nakano,Nozomi Nakagawa,Tomoshige Nitta,Kenji Kamada,Koji Ohta,Beno?t Champagne,Edith Botek,Kizashi Yamaguchi, Nonlinear Optics Quantum Optics, Vol. 34, p. 33-36, 2005/12/19
  • Theoretical study on second hyperpolarizabilities of diradical systems, Masayoshi Nakano,Ryohei Kishi,Nozomi Nakagawa,Tomoshige Nitta,Takashi Kubo,Kazuhiro Nakasuji,Kenji Kamada,Koji Ohta,Beno?t Champagne,Edith Botek,Kizashi Yamaguchi, Nonlinear Optics Quantum Optics, Vol. 34, p. 29-32, 2005/12/19
  • Quantum-phase dynamics of two-component Bose-Einstein condensates: Collapse-revival of macroscopic superposition states, M Nakano,R Kishi,S Ohta,H Takahashi,S Furukawa,K Yamaguchi, PHYSICA B-CONDENSED MATTER, ELSEVIER SCIENCE BV, Vol. 370, No. 1-4, p. 110-120, 2005/12
  • Theoretical study on two-photon absorption for symmetric molecular systems composed of charged groups linked with pi-conjugated bridge, R Kishi,M Nakano,S Yamada,K Kamada,K Ohta,T Nitta,K Yamaguchi, SYNTHETIC METALS, ELSEVIER SCIENCE SA, Vol. 154, No. 1-3, p. 181-184, 2005/09
  • A proposal of spin- and charge-modulated open-shell nonlinear optical systems, M Nakano,B Champagne,E Botek,R Kishi,T Nitta,K Yamaguchi, SYNTHETIC METALS, ELSEVIER SCIENCE SA, Vol. 154, No. 1-3, p. 309-312, 2005/09
  • Polarizability and second hyperpolarizability of open-shell pi-conjugated compounds from spin projection method calculations, B Champagne,E Botek,O Quinet,M Nakano,R Kishi,T Nitta,K Yamaguchi, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 407, No. 4-6, p. 372-378, 2005/05
  • Hyperpolarizability density analysis of the enhancement of second hyperpolarizability of pi-conjugated oligomers by intermolecular interaction, M Nakano,R Kishi,T Nitta,B Champagne,E Botek,K Yamaguchi, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, JOHN WILEY & SONS INC, Vol. 102, No. 5, p. 702-710, 2005/04
  • Quantum master equation approach to the second hyperpolarizability of nanostar dendritic systems, M Nakano,R Kishi,N Nakagawa,T Nitta,K Yamaguchi, JOURNAL OF PHYSICAL CHEMISTRY B, AMER CHEMICAL SOC, Vol. 109, No. 16, p. 7631-7636, 2005/04
  • Exciton dynamics in nanostar dendritic systems using a quantum master equation approach: core monomer effects and possibility of energy transport control, M Nakano,R Kishi,M Takahata,T Nitta,K Yamaguchi, JOURNAL OF LUMINESCENCE, ELSEVIER SCIENCE BV, Vol. 111, No. 4, p. 359-366, 2005/03
  • Second hyperpolarizability (gamma) of singlet diradical system: Dependence of gamma on the diradical character, M Nakano,R Kishi,T Nitta,T Kubo,K Nakasuji,K Kamada,K Ohta,B Champagne,E Botek,K Yamaguchi, JOURNAL OF PHYSICAL CHEMISTRY A, AMER CHEMICAL SOC, Vol. 109, No. 5, p. 885-891, 2005/02
  • Quantum chemical calculations of third-order nonlinear optical properties for organic open-shell systems: Nitronyl nitroxide radicals and several pi-conjugated systems having unique structures., S. Yamada,M. Nakano,R. Kishi,S. Ohta,S. Furukawa,H. Takahashi,K. Yamaguchi, Advances in Computational Methods in Sciences and Engineering 2005, Vols 4 A & 4 B, VSP BV-C/O BRILL ACAD PUBL, Vol. 4A-4B, p. 1158-1161, 2005
  • Free energy calculation for the reaction that proceeds via singlet biradical transition state: Dehydration reaction of alcohol in hot water, Hideaki Takahashi,Hajime Ohno,Ryohei Kishi,Suguru Ohta,Shin-Ichi Furukawa,Masayoshi Nakano, Advances in Computational Methods in Sciences and Engineering 2005, Vols 4 A & 4 B, VSP BV-C/O BRILL ACAD PUBL, Vol. 4A-4B, p. 1167-1171, 2005
  • Theoretical study on open-shell nonlinear optical systems, M Nakano,R Kishi,N Nakagawa,T Nitta,T Kubo,K Nakasuji,K Kamada,K Ohta,B Champagne,E Botek,S Yamada,K Yamaguchi, Organic and Nanocomposite Optical Materials, MATERIALS RESEARCH SOCIETY, Vol. 846, p. 13-24, 2005
  • Ab initio study on nonlinear optical properties for small dendritic molecules, S Yamada,M Nakano,M Takahata,R Kishi,T Nitta,K Yamaguchi, JOURNAL OF NONLINEAR OPTICAL PHYSICS & MATERIALS, WORLD SCIENTIFIC PUBL CO PTE LTD, Vol. 13, No. 3-4, p. 417-422, 2004/12
  • Theoretical study on the second hyperpolarizability (gamma) of a homogeneous molecule in the bond dissociation process: Enhancement of gamma in the intermediate correlation regime, M Nakano,S Yamada,R Kishi,M Takahata,T Nitta,K Yamaguchi, JOURNAL OF NONLINEAR OPTICAL PHYSICS & MATERIALS, WORLD SCIENTIFIC PUBL CO PTE LTD, Vol. 13, No. 3-4, p. 411-416, 2004/12
  • Second-order Monte Carlo wave-function approach to the relaxation effects on ringing revivals in a molecular system interacting with a strongly squeezed coherent field, M Nakano,R Kishi,T Nitta,K Yamaguchi, PHYSICAL REVIEW A, AMERICAN PHYSICAL SOC, Vol. 70, No. 3, 2004/09
  • Structure-property relation in two-photon absorption for symmetric molecules involving diacetylene pi-conjugated bridge, R Kishi,M Nakano,S Yamada,K Kamada,K Ohta,T Nitta,K Yamaguchi, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 393, No. 4-6, p. 437-441, 2004/08
  • Theoretical study on static second hyperpolarizabilities for several pi-conjugated systems including nitrogen atoms: Effects of charged defects and extension of pi-conjugation, S Yamada,M Nakano,M Takahata,R Kishi,T Nitta,K Yamaguchi, JOURNAL OF PHYSICAL CHEMISTRY A, AMER CHEMICAL SOC, Vol. 108, No. 18, p. 4151-4155, 2004/05
  • Exciton migration dynamics in a dendritic molecule: Quantum master equation approach using ab initio molecular orbital configuration interaction method, M Nakano,M Takahata,S Yamada,K Yamaguchi,R Kishi,T Nitta, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 120, No. 5, p. 2359-2367, 2004/02
  • Monte Carlo wave-function approach to the quantum-phase dynamics of a dissipative molecular system interacting with a single-mode amplitude-squeezed field, M Nakano,R Kishi,T Nitta,K Yamaguchi, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 119, No. 23, p. 12106-12118, 2003/12

Misc.

  • 量子化学に基づく分子物性の予測と解釈, Vol. 1, No. 4, p. 189-209, 2019/10
  • Ab Initio Molecular Orbital-Configuration Interaction Based Quantum Master Equation (MOQME) Approach to the Dynamic First Hyperpolarizabilities of Asymmetric. Conjugated Systems, Ryohei Kishi,Hiroaki Fujii,Takuya Minami,Yasuteru Shigeta,Masayoshi Nakano, PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2010 (ICCMSE-2010), AMER INST PHYSICS, Vol. 1642, p. 530-534, 2015
  • Approximate Spin Projected Spin-Unrestricted Density Functional Theory Method: Application to Diradical Character Dependences of Second Hyperpolarizabilities, Masayoshi Nakano,Takuya Minami,Hitoshi Fukui,Kyohei Yoneda,Yasuteru Shigeta,Ryohei Kish,Benoit Champagnes,Edith Bote, PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2010 (ICCMSE-2010), AMER INST PHYSICS, Vol. 1642, p. 30-34, 2015

Publications

  • 金属錯体の量子・計算化学 (錯体化学会選書), 三共出版, ISBN:4782707096, 2014/10
  • デンドリティック高分子 : 多分岐構造が拡げる高機能化の世界, エヌ・ティー・エス, ISBN:4860430980, 2005

Industrial Property Rights

  • 二光子吸収材料, 特願2005-267913, 出願日:2005/09/15
  • 二光子吸収材料, 特許第5011688号, 特願2005-267913, 出願日:2005/09/15

Awards

  • Presentation Award in Annual Meeting of Japan Society for Molecular Science (2012), Ryohei Kishi, Japan Society for Molecular Science, 2012
  • CSJ Presentation Award 2009, Ryohei Kishi, The Chemical Society of Japan, 2009

Presentations

  • Molecular and periodic systems with open-shell electronic structures: From geometric and energetic features to response properties, Ryohei Kishi, The 4th China-Japan-Korea Workshop on Theoretical and Computational Chemistry (CJK-WTCC-IV), 2019/01/11
  • 量子化学に基づく分子物性の予測と解釈, 2018/12/18
  • Theoretical Study on the Optical Response Properties of One-Dimensional Molecular Crystals Composed of Open-Shell Molecules, Ryohei Kishi,Takayoshi Tonami,Masaki Yamane,Kenji Okada,Masayoshi Nakano, FUKUI 2018 Satellite Sympoisum, A Satellite Symposium to celebrate Prof. Kenichi Fukui's 100th birthday, 2018/10/13
  • Pyridinium N-Phenoxide Betainとそのπ拡張系の開殻性と非線形光学物性の理論研究, 2018/09/12
  • 一重項分裂誘起三次非線形光学特性の分子間パッキング効果に関する理論研究, 2018/09/11
  • カーボンナノベルト系の開殻性、芳香族性および非線形光学特性の理論研究, 2018/09/11
  • 開殻分子からなる1次元無限系の光応答特性についての理論研究, 2018/09/11
  • シクロオクタテトラエン導入縮環共役開殻系における三次非線形光学物性の理論研究, 2018/09/10
  • Push-pull-biphenyl (PPB)誘導体の開殻性、電荷移動性、非線形光学物性の相関のねじれ角依存性に関する理論研究, 2018/09/10
  • A Potential of Enhancing Nonlinear Optical Properties of Pentacene Dimers by Singlet Fission, Takayoshi Tonami,Takanori Nagami,Masaki Yamane,Ryohei Kishi,Masayoshi Nakano, 16TH International Congress of Quantum Chemistry, 2018/06/18
  • Theoretical study on electronic structures and nonlinear optical properties of covalent organic frameworks composed of open-shell molecules, Ryohei Kishi,Takayoshi Tonami,Masaki Yamane,Masayoshi Nakano, 16TH International Congress of Quantum Chemistry, 2018/06/18
  • Theoretical study on nonlinear optical properties of covalent organic frameworks composed of open-shell molecules, Ryohei Kishi,Takayoshi Tonami,Masaki Yamane,Masayoshi Nakano, Theoretical Studies of Magnetuc Systems: Methodological Developments and Applications. (Satellite Symposium of ICQC 2018), 2018/06/13
  • 外部電場印加及び構造変化による開殻性の制御に基づく新規非線形光学分子系の理論設計, 2018/06/10
  • Singlet Fission Dynamics in Molecular Aggregates: Excitonic Coupling Effects on the Size Dependences of SF Rate and TT Yield, M. Nakano,T. Nagami,T. Tonami,K. Watanabe,M. Yamane,S. Ito,R. Kishi,K. Yasutaka,T. Kubo, 7th JCS Symposium, 2018/05/21
  • 開殻分子を含む共有結合性有機構造体部分構造の三次非線形光学特性についての理論研究, 2018/05/16
  • シングレットフィッションによるペンタセン二量体の線形及び非線形光学特性に関する理論研究, 2018/05/15
  • 一次元開殻縮環共役系へのシクロオクタテトラエン導入による三次非線形光学物性の制御, 2018/03/23
  • ジカチオンジラジカルモデルにおける三次非線形光学物性に関する理論研究, 2018/03/22
  • 部分酸化グラフェンシートにおける開殻性と三次非線形光学物性に関する理論研究, 2018/03/22
  • カーボンナノベルト系の開殻性と非線形光学物性に関する理論研究, 2018/03/22
  • 開殻分子からなる共有結合性有機構造体の部分構造の非線形光学特性についての理論研究, 2018/03/21
  • ペンタセン二量体における第二超分極率γのスピン状態及び分子配向依存性に関する理論研究, 2018/03/21
  • キノピリジン誘導体の開殻性, 電荷移動性, 非線形光学物性の相関に関する理論研究, 2018/03/20
  • 強い反芳香族性とジラジカル性を示すベンゾノルコロールの合成, 2018/03/20
  • Pyridinium N-phenoxide betaineの 開殻性と非線形光学特性の理論研究, 2018/03/20
  • ナノベルト系の一重項開殻性と第二超分極率の理論研究, 2018/02/02
  • ペンタセン二量体における三次非線形光学特性のスピン状態及び分子配向依存性についての理論研究, 2018/02/02
  • Push-pull-biphenyl (PPB) の開殻性及び電荷移動性のねじれ角依存性に関する理論研究, 2018/02/02
  • シクロオクタテトラエンを導入した一次元共役縮環系の構造と電子状態の理論研究, 2018/02/02
  • Pyridinium N-phenoxide betaineとその誘導体の開殻性と非線形光学特性の理論研究, 2018/02/02
  • 中間相関のラジカル電子対をもつ分子系の光物性:非線形光学効果と一重項分裂, 2018/01/31