Theoretical design of molecular devices using metal complexes and theoretical prediction of their properties by quantum chemical calculations

• Project/Area Number: 26410093
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Functional solid state chemistry
• Research Institution: Osaka University
• Principal Investigator: Yasutaka Kitagawa 大阪大学, 基礎工学研究科, 准教授 (60362612)
• Research Collaborator: ASAOKA Mizuki ; MIYAGI Koji ; TERAMOTO Rena ; NATORI Yoshiki ; NAKANO Masayoshi
• Project Period (FY): 2014-04-01 – 2017-03-31
• Project Status: Completed (Fiscal Year 2016)
• Budget Amount: ¥5,200,000 (Direct Cost: ¥4,000,000、Indirect Cost: ¥1,200,000); Fiscal Year 2016: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000); Fiscal Year 2015: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000); Fiscal Year 2014: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
• Keywords: 分子素子設計 / 遷移金属錯体 / 量子化学 / 物性予測 / 分子素子 / 磁性 / 電気伝導性 / 光物性 / 密度汎関数（DFT）計算 / 伝導性

Outline of Final Research Achievements

In this project, we carried out theoretical simulation studies for the molecular design of functional materials and the prediction of those molecules based on quantum chemical calculation, especially for transition metal complexes. As a result, (1) we have established general simulation approach based on quantum chemistry to handle molecular structures, electronic structures and physical properties including metal surfaces and electrodes. (2) We have also proposed design guidelines for the objective functions, and have predicted their physical properties based on quantum chemical calculation.

Research Products

• [Int'l Joint Research] Hong Kong Baptist University(China)
• [Journal Article] Theoretical study of magnetic interaction in pyrazole-bridged dinuclear Cu(II) complex (2017)
  • Author(s): K. Miyagi, Y. Kitagawa, M. Asaoka, R. Teramoto, Y. Natori, T. Saito, M. Nakano
  • Journal Title: Polyhedron Volume: 印刷中 Pages: 132-135
  • DOI: 10.1016/j.poly.2017.03.017
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Theoretical study on relationship between spin structure and electron conductivity of one-dimensional tri-nickel (II) complex (2017)
  • Author(s): Yasutaka Kitagawa, Mizuki Asaoka, Yoshiki Natori, Koji Miyagi, Rena Teramoto, Toru Matsui, Yasuteru Shigeta, Mitsutaka Okumura, Masayoshi Nakano
  • Journal Title: Polyhedron Volume: 印刷中 Pages: 125-131
  • DOI: 10.1016/j.poly.2017.02.020
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Theoretical study on S1 and T1 states of homoleptic bis(dipyrrinato)zinc(II) model complex (2017)
  • Author(s): M. Asaoka, Y. Kitagawa, R. Teramoto, K. Miyagi, Y. Natori, R. Sakamoto, H. Nishihara, M. Nakano
  • Journal Title: Polyhedron Volume: ー Pages: 113-116
  • DOI: 10.1016/j.poly.2017.01.058
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Origin of solvent-independent optical property of unsubstituted BODIPY revisited (2017)
  • Author(s): M. Asaoka, Y. Kitagawa, R. Teramoto, K. Miyagi, Y. Natori, M. Nakano
  • Journal Title: Chem Lett. Volume: 46 Issue: 4 Pages: 536-538
  • DOI: 10.1246/cl.170024
  • NAID: 130005549065
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Anisotropic Change in the Magnetic Susceptibility of a Dynamic Single Crystal of a Cobalt (II) Complex (2017)
  • Author(s): Zi‐Shuo Yao, Shu‐Qi Wu, Yasutaka Kitagawa, Sheng‐Qun Su, You‐Gui Huang, Guo‐Ling Li, Zhong‐Hai Ni, Hiroyuki Nojiri, Yoshihito Shiota, Kazunari Yoshizawa, Soonchul Kang, Shinji Kanegawa, Osamu Sato
  • Journal Title: Angewandte Chemie Volume: 129 Issue: 3 Pages: 735-739
  • DOI: 10.1002/ange.201606165
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] A simple zinc (ii) complex that features multi-functional luminochromism induced by reversible ligand dissociation (2017)
  • Author(s): Takamasa Tsukamoto, Risa Aoki, Ryota Sakamoto, Ryojun Toyoda, Masaki Shimada, Yohei Hattori, Mizuki Asaoka, Yasutaka Kitagawa, Eiji Nishibori, Masayoshi Nakano, Hiroshi Nishihara
  • Journal Title: Chemical Communications Volume: 53 Issue: 35 Pages: 3657-3660
  • DOI: 10.1002/chem.201700201
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Dissymmetric Bis(dipyrrinato)zinc(II) Complexes: Rich Variety and Bright Red to Near-Infrared Luminescence with a Large Pseudo Stokes Shift (2016)
  • Author(s): Ryota Sakamoto, Toshiki Iwashima, Julius F. Kögel, Shinpei Kusaka, Mizuho Tsuchiya, Yasutaka Kitagawa, Hiroshi Nishihara
  • Journal Title: J. Am. Chem. Soc. Volume: 138 Issue: 17 Pages: 5666-5677
  • DOI: 10.1021/jacs.6b02128
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Heteroleptic [Bis (oxazoline)](dipyrrinato) zinc (II) Complexes: Bright and Circularly Polarized Luminescence from an Originally Achiral Dipyrrinato Ligand (2016)
  • Author(s): Julius F Kogel, Shinpei Kusaka, Ryota Sakamoto, Toshiki Iwashima, Mizuho Tsuchiya, Ryojun Toyoda, Ryota Matsuoka, Takamasa Tsukamoto, Junpei Yuasa, Yasutaka Kitagawa, Tsuyoshi Kawai, Hiroshi Nishihara
  • Journal Title: Angewandte Chemie International Edition Volume: 55 Issue: 4 Pages: 1377-1381
  • DOI: 10.1002/anie.201509411
  • Peer Reviewed
• [Journal Article] Theoretical study on the second hyperpolarizabilities of one-dimensional heteronuclear transition-metal-metal bonded systems: Metal alignment effects (2015)
  • Author(s): Shota Takamuku, Yasutaka Kitagawa, Takanori Nagami, Masayoshi Nakano
  • Journal Title: Chemical Physics Letters Volume: 640 Pages: 165-171
  • DOI: 10.1016/j.cplett.2015.10.011
  • Peer Reviewed
• [Journal Article] Proton Order－Disorder Phenomena in a Hydrogen-Bonded Rhodium－η5-Semiquinone Complex: A Possible Dielectric Response Mechanism (2015)
  • Author(s): Minoru Mitsumi, Kazunari Ezaki, Yuuki Komatsu, Koshiro Toriumi, Tatsuya Miyatou, Motohiro Mizuno, Nobuaki Azuma, Yuji Miyazaki, Motohiro Nakano, Yasutaka Kitagawa, Takayasu Hanashima, Ryoji Kiyanagi, Takashi Ohhara, and Kazuhiro Nakasuji
  • Journal Title: Chemistry - A European Journal Volume: 21 Issue: 27 Pages: 9682-9696
  • DOI: 10.1002/chem.201500796
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] A photofunctional bottom-up bis(dipyrrinato)zinc(II) complex nanosheet (2015)
  • Author(s): Ryota Sakamoto, Ken Hoshiko, Qian Liu, Toshiki Yagi, Tatsuhiro Nagayama, Shinpei Kusaka, Mizuho Tsuchiya, Yasutaka Kitagawa, Wai-Yeung Wong, Hiroshi Nishihara
  • Journal Title: Nature Commun. 2015, 6, Volume: 6 Issue: 1 Pages: 6713-6713
  • DOI: 10.1038/ncomms7713
  • Peer Reviewed / Open Access
• [Journal Article] First principle calculations of effective exchange integrals: Comparison between SR (BS) and MR computational results (2015)
  • Author(s): Kizashi Yamaguchi, Satomichi Nishihara, Toru Saito, Shusuke Yamanaka, Yasutaka Kitagawa, Takashi Kawakami, Satoru Yamada, Hiroshi Isobe, Mitsutaka Okumura
  • Journal Title: AIP Conference Proceedings Volume: 1642 Pages: 15-29
  • DOI: 10.1063/1.4906626
  • Peer Reviewed
• [Journal Article] Self‐Alignment of Low‐Valent Octanuclear Palladium Atoms (2015)
  • Author(s): Kanako Nakamae, Yukie Takemura, Bunsho Kure, Takayuki Nakajima, Yasutaka Kitagawa, Tomoaki Tanase
  • Journal Title: Angewandte Chemie International Edition Volume: 127 Issue: 3 Pages: 1030-1035
  • DOI: 10.1002/ange.201409511
  • Peer Reviewed
• [Journal Article] Accurate Standard Hydrogen Electrode Potential and Applications to the Redox Potentials of Vitamin C and NAD/NADH (2015)
  • Author(s): T. Matsui, Y. Kitagawa, M. Okumura, Y. Shigeta
  • Journal Title: J. Phys. Chem. A Volume: 119 Issue: 2 Pages: 369-376
  • DOI: 10.1021/jp508308y
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] DFT and TD-DFT studies of electronic structures and one-electron excitation states of a cyanide-bridged molecular square complex (2015)
  • Author(s): Yasutaka Kitagawa, Mizuki Asaoka, Koji Miyagi, Toru Matsui, Masayuki Nihei, Hiroshi Oshio, Mitsutaka Okumura, Masayoshi Nakan
  • Journal Title: Inorganic Chemistry Frontiers Volume: 2 Issue: 8 Pages: 771-779
  • DOI: 10.1039/c5qi00091b
  • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Diradical Character and Nonlinear Optical Properties of Buckyferrocenes: Focusing the Use of Suitably Modified Fullerene Fragments (2015)
  • Author(s): M. SHABBIR, S. Ito, M. Nakano, R. Kishi, K. Yoneda, Y. Kitagawa, M. Shkir, A. Irfan, A. R Chaudhry, S. AlFaify, A. Kalam, A. G. Al-Sehemi
  • Journal Title: Phys. Chem. Chem. Phys. Volume: 17 Issue: 8 Pages: 5805-5816
  • DOI: 10.1039/c4cp05175k
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Theoretical Study of Electronic Properties of Phenalenyl Radical and Zethrene Diradical Species: Possibility of Triplet Oxygen Adsorption onto Graphene Surface (2015)
  • Author(s): Keiji Kinoshita, Takashi Kawakami, Shohei Yoshimura, Toru Saito, Yasutaka Kitagawa, Shusuke Yamanaka, Mitsutaka Okumura, Kizashi Yamaguchi
  • Journal Title: Bulletin of the Chemical Society of Japan Volume: 88 Issue: 1 Pages: 149-161
  • DOI: 10.1246/bcsj.20140232
  • NAID: 130004690772
  • Peer Reviewed
• [Journal Article] Asymmetric dinuclear bis (dipyrrinato) Zinc (II) complexes : Broad absorption and unidirectional quantitative exciton transmission (2014)
  • Author(s): Mizuho Tsuchiya, Ryota Sakamoto, Shinpei Kusaka, Yasutaka Kitagawa, Mitsutaka Okumura, Hiroshi Nishihara
  • Journal Title: Chemical Communications Volume: (In press) Issue: 44 Pages: 5881-5883
  • DOI: 10.1039/c4cc01573h
  • Peer Reviewed
• [Journal Article] Strongly Luminous Tetranuclear Gold(I) Complexes Supported by Tetraphosphine Ligands, meso- or rac-Bis[(diphenylphosphinomethyl)phenylphosphino]methane (2014)
  • Author(s): T. Tanase, R. Otaki, T. Nishida, H. Takenaka, Y. Takemura, B. Kure, T. Nakajima, Y. Kitagawa, T. Tsubomura
  • Journal Title: Chem. Euro. J. Volume: 20 Issue: 6 Pages: 1577-1596
  • DOI: 10.1002/chem.201303729
  • Peer Reviewed
• [Journal Article] DFT and DFT-D studies on molecular structure of double-decker phthalocyaninato-terbium (III) complex (2014)
  • Author(s): Y Kitagawa, T Kawakami, S Yamanaka, M Okumura
  • Journal Title: Molecular Physics Volume: 112 Issue: 7 Pages: 995-1001
  • DOI: 10.1080/00268976.2013.825341
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Bistable Multifunctionality and Switchable Strong Ferromagnetic-to-Anti ferromagnetic Coupling in a One-Dimen sional Rhodium(I)-Semiquinonato Complex (2014)
  • Author(s): Mitsumi M., Nishitani T., Yamasaki S., Shimada N., Komatsu Y., Toriumi K., Kitagawa Y., Okumura M., Miyazaki Y., Gorska N., Inaba A., Kanda A., Hanasaki N
  • Journal Title: J. Am. Chem. Soc Volume: 136 Issue: 19 Pages: 7026-7037
  • DOI: 10.1021/ja5017014
  • Peer Reviewed
• [Journal Article] Theoretical Investigation on the Optical Properties of Diphosphine-protected Au8 Cluster Complexes (2014)
  • Author(s): Sachio Hayashi, Kohei Tada, Kohei Sakata, Hiroaki Koga, Shusuke Yamanaka, Takashi Kawakami, Yasutaka Kitagawa, Mitsutaka Okumura
  • Journal Title: Chemistry Letters Volume: 43 Issue: 6 Pages: 880-882
  • DOI: 10.1246/cl.140149
  • NAID: 130004868199
  • Peer Reviewed
• [Presentation] ビスジピリン亜鉛(II)錯体の置換基と光吸収の関係に関する理論研究 (2017)
  • Author(s): 浅岡瑞稀・北河康隆・青木笙悟・名取圭紀・坂本良太・西原寛・中野雅由
  • Organizer: 日本化学会第97春季年会
  • Place of Presentation: 慶應大学（神奈川県・横浜市）
  • Year and Date: 2017-03-19
• [Presentation] TD-DFT法を用いたIr(ppy)3錯体およびその類縁体の光吸収特性に関する理論研究 (2017)
  • Author(s): 名取圭紀・浅岡瑞稀・北河康隆・中野雅由
  • Organizer: 第14回京都大学福井謙一記念研究センターシンポジウム
  • Place of Presentation: 京都大学（京都府・京都市）
  • Year and Date: 2017-01-27
• [Presentation] 金属ナノクラスターの構造と電子状態：量子化学計算によるアプローチ (2016)
  • Author(s): 北河 康隆, 浅岡瑞稀, 奥村光隆, 中野雅由
  • Organizer: 第118回触媒討論会
  • Place of Presentation: 岩手大学（岩手県・盛岡市）
  • Year and Date: 2016-09-21
  • Invited
• [Presentation] Electronic structure and magnetic interaction of terbium(III) phthalocyanine (Pc) double-decker complex on metal surface (2016)
  • Author(s): Yasutaka KITAGAWA, Mizuki ASAOKA, Koji MIYAGI, Rena TERAMOTO, Yoshiki NATORI, Keiichi KATOH, Masahiro YAMASHITA, Masayoshi NAKANO
  • Organizer: 第66回錯体化学討論会
  • Place of Presentation: 福岡大学（福岡県・福岡市）
  • Year and Date: 2016-09-11
• [Presentation] Theoretical study on the relationships between molecularmagnetic property and electron conductivity of tri-nickel(II) complex (2016)
  • Author(s): Yasutaka Kitagawa, Taku Takebayashi, Mizuki Asaoka, Koji Miyagi, Rena Teramoto, Yasuteru Shigeta, Masayoshi Nakano
  • Organizer: 15th International conference on molecule-based magnets (ICMM2016)
  • Place of Presentation: 仙台国際センター（宮城県・仙台市）
  • Year and Date: 2016-09-06
  • Int'l Joint Research
• [Presentation] Theoretical study on triplet (T1) state of bis(dipyrrinato)zinc(II) complexes (2016)
  • Author(s): Mizuki Asaoka, Rena Nishikubo, Koji Miyagi, Yasutaka Kitagawa, Masayoshi Nakano
  • Organizer: 15th International conference on molecule-based magnets (ICMM2016)
  • Place of Presentation: 仙台国際センター（宮城県・仙台市）
  • Year and Date: 2016-09-05
  • Int'l Joint Research
• [Presentation] Theoretical study of magnetic interaction in pyrazole-bridged dinuclear Cu(II) complex (2016)
  • Author(s): Koji Miyagi, Mizuki Asaoka, Rena Nishikubo, Yasutaka Kitagawa, Masayoshi Nakano
  • Organizer: 15th International conference on molecule-based magnets (ICMM2016)
  • Place of Presentation: 仙台国際センター（宮城県・仙台市）
  • Year and Date: 2016-09-05
  • Int'l Joint Research
• [Presentation] DFT Study on Electronic Structure and Magnetic Interaction of Multibistable Cyanide-Bridged Iron-Cobalt Square Complex (2016)
  • Author(s): Yasutaka Kitagawa, Mizuki Asaoka, Koji Miyagi, Rena Teramoto and Masayoshi Nakano
  • Organizer: Osaka City University International Conference in 2016 (OCUIC-2016) on Molecular Spins and Quantum Technology
  • Place of Presentation: 大阪市立大学（大阪府・大阪市）
  • Year and Date: 2016-09-01
  • Int'l Joint Research / Invited
• [Presentation] Theoretical Study on Singlet (S1) and Triplet (T1) States of Luminescent Bis(Dipyrrinato)Zinc(II) Complexes (2016)
  • Author(s): Mizuki Asaoka, Rena Teramoto, Koji Miyagi, Yasutaka Kitagawa, Masayoshi Nakano
  • Organizer: Osaka City University International Conference in 2016 (OCUIC-2016) on Molecular Spins and Quantum Technology
  • Place of Presentation: 大阪市立大学（大阪府・大阪市）
  • Year and Date: 2016-08-31
  • Int'l Joint Research
• [Presentation] Theoretical study on molecular structures, electronic states and optical properties of bis(dipyrrinato)zinc(II) complexes (2016)
  • Author(s): Mizuki Asaoka, Rena Nishikubo, Yasutaka Kitagawa, Ryota Sakamoto, Hiroshi Nishihara, Masayoshi Nakano
  • Organizer: 42nd International Conference on Coordination Chemistry (ICCC2016)
  • Place of Presentation: ブレスト（フランス）
  • Year and Date: 2016-07-05
  • Int'l Joint Research
• [Presentation] 量子化学計算による錯体化学へのアプローチ ー電子状態・分子構造・物性を例にー (2016)
  • Author(s): 北河 康隆
  • Organizer: 錯体化学若手の会第54回 近畿支部勉強会
  • Place of Presentation: 大阪大学（大阪府・豊中市）
  • Year and Date: 2016-05-28
  • Invited
• [Presentation] 幾何構造が誘起する分子スイッチの可能性 (2016)
  • Author(s): 北河 康隆, 竹林 拓, 浅岡 瑞稀, 宮城 公磁, 西久保 玲奈, 中野 雅由
  • Organizer: 日本化学会第96春季年会, 特別企画講演
  • Place of Presentation: 同志社大学京田辺キャンパス
  • Year and Date: 2016-03-24
  • Invited
• [Presentation] 分子技術と量子化学計算 －原理解明と実験へのフィードバックに向けて－ (2016)
  • Author(s): 北河康隆、竹林拓、浅岡瑞稀、宮城公磁、中野雅由
  • Organizer: 大阪大学 分子技術イニシアティブセミナー「分子技術と理論計算・データ科学」
  • Place of Presentation: 大阪大学
  • Year and Date: 2016-03-14
  • Invited
• [Presentation] Theoretical Study on Magnetic Properties of Cyanide-Bridged Fe-Co Complex (2016)
  • Author(s): Yasutaka Kitagawa, Mizuki Asaoka, Koji Miyagi, Rena Nishikubo, Masayoshi Nakano
  • Organizer: Joint Seminar of Japan - F.R.S.-FNRS Research Cooperative Program:”Quantum chemical design of open-shell nonlinear optical materials”
  • Place of Presentation: The University of Namur, Belgium
  • Year and Date: 2016-03-04
  • Int'l Joint Research / Invited
• [Presentation] Theoretical study on electron conductivities of 1D nickel(II) complexes (2015)
  • Author(s): Yasutaka Kitagawa, Taku Takebayashi, Mizuki Asaoka, Koji Miyagi, Yasuteru Shigeta, Masayoshi Nakano
  • Organizer: Pacifichem2015
  • Place of Presentation: Hawaii Convention Center, U.S.A
  • Year and Date: 2015-12-15
  • Int'l Joint Research
• [Presentation] Theoretical study on photoabsorption properties of unsubstituted boron-dipyrromethene (BODIPY) (2015)
  • Author(s): Mizuki Asaoka, Koji Miyagi, Taku Takebayashi, Yasutaka Kitagawa, Masayoshi Nakano
  • Organizer: Pacifichem2015
  • Place of Presentation: Hawaii Convention Center, U.S.A
  • Year and Date: 2015-12-15
  • Int'l Joint Research
• [Presentation] A possibility of molecular switch by external field - DFT studies on one-dimensional metal complex and oligoacenes - (2015)
  • Author(s): Yasutaka Kitagawa, Taku Takebayashi, Masayoshi Nakano
  • Organizer: International workshop on Topology/Geometry-driven Electron Systems toward New Horizon of Functional Materials
  • Place of Presentation: Nagoya Univ., Japan
  • Year and Date: 2015-12-12
  • Int'l Joint Research / Invited
• [Presentation] DFT study on electronic structure and magnetic interaction of cyanide-bridged Fe-Co complex (2015)
  • Author(s): Yasutaka Kitagawa, Mizuki Asaoka, Koji Miyagi, Rena Nishikubo, Taku Takebayashi and Masayoshi Nakano
  • Organizer: The 9th Japanese-Russian Workshop on Open Shell Compounds and Molecular Spin Devices
  • Place of Presentation: Awaji Yumebutai International Conference Center, Japan
  • Year and Date: 2015-11-08
  • Int'l Joint Research / Invited
• [Presentation] Theoretical study on electron conductivities of one-dimensional Ni complexes: Ferromagnetic and anti-ferromagnetic state dependences (2015)
  • Author(s): Yasutaka Kitagawa, Taku Takebayashi, Yasuteru Shigeta, Masayoshi Nakano
  • Organizer: The 15th International Congress of Quantum Chemistry (ICQC)
  • Place of Presentation: Tsinghua University, Beijing, China
  • Year and Date: 2015-06-08
  • Int'l Joint Research
• [Presentation] Geometric and Electronic Structure of TbPc2 Complex: A DFT Study (2014)
  • Author(s): Y. Kitagawa
  • Organizer: International Symposium on Interactive Materials Science Cadet Program
  • Place of Presentation: Osaka
  • Year and Date: 2014-11-19
  • Invited
• [Presentation] DFT study on the structure and electronic structure of double-decker phthalocyaninato-Tb(III) complex (2014)
  • Author(s): Y. Kitagawa
  • Organizer: Vietnam Malaysia International Chemical Congress
  • Place of Presentation: Hanoi,Vietnum
  • Year and Date: 2014-11-08
  • Invited
• [Presentation] TbPc2錯体におけるf-π軌道間の磁気的相互作用に関する理論的研究 (2014)
  • Author(s): 北河康隆,倉橋裕幸,加藤恵一,川上貴資,山中秀介,山下正廣,奥村光隆,中野雅由
  • Organizer: 第８回分子科学討論会
  • Place of Presentation: 広島大学
  • Year and Date: 2014-09-21
• [Presentation] Electron conductivity of open-shell metal complexes (2014)
  • Author(s): Yasutaka Kitagawa, Taku Takebayashi, Yasuteru Shigeta, Masayoshi Nakano
  • Organizer: 錯体化学会第６４回討論会
  • Place of Presentation: 中央大学
  • Year and Date: 2014-09-18
  • Invited
• [Presentation] Theoretical Study on Electron Conductivities of One-Dimensional Nickel(II) Complexes (2014)
  • Author(s): Yasutaka Kitagawa, Taku Takebayashi, Yasuteru Shigeta, Masayoshi Nakano
  • Organizer: European Seminar on Computational Methods in Quantum Chemistry 2014
  • Place of Presentation: Houffalize, Belgium
  • Year and Date: 2014-09-13
  • Invited
• [Presentation] Theoretical studies of electron conductivities on one-dimensional Ni complexes (2014)
  • Author(s): Yasutaka Kitagawa, Taku Takebayashi, Yasuteru Shigeta, Mitsutaka Okumura, Masayoshi Nakano
  • Organizer: International Conference on Organometallic Chemistry 2014
  • Place of Presentation: Sapporo, Japan
  • Year and Date: 2014-07-15
• [Book] Syntheses and X-Ray Crystal Structures of Magnesium- Substituted Polyoxometalates in 'Advanced Topics in Crystallization' (2015)
  • Author(s): Chika Nozaki Kato, Nami Ukai, Daisuke Miyamae, Shunya Arata, Toshifumi Kashiwagi, Masaru Nagami, Toshiya Mori, Yusuke Kataoka, Yasutaka Kitagawa, Hidemitsu Uno
  • Total Pages: 20
  • Publisher: InTech
• [Book] スピン化学が拓く分子磁性の新展開 (2014)
  • Author(s): 北河康隆（分担執筆）
  • Total Pages: 201
  • Publisher: 化学同人
• [Book] 錯体化学選書１０ 金属錯体の量子・計算化学 (2014)
  • Author(s): 北河康隆（分担執筆）
  • Total Pages: 529
  • Publisher: 三共出版