2016年度
2016年度の成果報告 (3/8)¶
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成果の種類 |
タイトル |
著者情報 |
会議・研究会・掲載誌名称・開催日・開催地等 |
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論文等 |
Effect of field-aligned-beam in parallel diffusion of energetic particles in the Earth's foreshock |
S. Matsukiyo, K. Nakanishi, F. Otsuka, A. Kis, I. Lemperger, T. Hada |
AGU Fall Meeting 2016, 2016/12/13, USA |
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論文等 |
Divide-and-Conquer Hartree-Fock-Bogoliubov Method and Its Application to Conjugated Diradical Systems |
Masato Kobayashi, Tetsuya Taketsugu |
Chem. Lett. 45, 1268-1270 (2016) |
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論文等 |
Nearly 10% External Quantum Efficiency Thermally Activated Delayed Fluorescence OLEDs with Fully Solution Processed Organic Layers |
K. Albrecht, K. Matsuoka, D. Yokoyama, Y. Sakai, A. Nakayama, K. Fujita, and K. Yamamoto |
Chem. Comm. (in press), DOI: 10.1039/C6CC09275F |
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論文等 |
Automated property optimization via ab initio O(N) elongation method: application to (hyper-)polarizability in DNA |
Yuuichi Orimoto and Yuriko Aoki |
The Journal of Chemical Physics, 145, 024107 (2016). |
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論文等 |
Computational study of Cu-containing artificial DNA: twist angle dependence of magnetism |
Yuuichi Orimoto and Yuriko Aoki |
ChemistrySelect, 1, 5521-5529 (2016). |
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論文等 |
Theoretical approach to the property and reaction design of DNA/proteins by through-space/bond interaction analysis and elongation method |
Yuuichi Orimoto and Yuriko Aoki |
The 43th International Symposium on Nucleic Acids Chemistry (ISNAC2016), Kumamoto(JAPAN), September 28, 2016 |
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論文等 |
酵素反応機構解明のための軌道相互作用解析法の開発と応用 |
折本 裕一、青木 百合子 |
第10回分子科学討論会、神戸、2016年9月13日 |
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論文等 |
A DFT and multi-configurational perturbation theory study on O2 binding to a model heme compound via the spin-change barrier |
Y. Kitagawa, Y. Chen, N. Nakatani, A. Nakayama, and J. Hasegawa |
Phys. Chem. Chem. Phys. 18, 18137–18144 (2016) |
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論文等 |
Spin-Blocking Effect in CO and H2 Binding Reactions to Molybdenocene and Tungstenocene: A Theoretical Study on the Reaction Mechanism via the Minimum Energy Intersystem Crossing Point |
K. Watanabe, N. Nakatani,* A. Nakayama, M. Higashi, and J. Hasegawa |
Inorg. Chem. 55, 8082-8090 (2016) |
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論文等 |
Electronic Polarization Effect of the Water Environment in Charge-Separated Donor-Acceptor Systems: An Effective Fragment Potential Model Study |
K. Yanai, K. Ishimura, A. Nakayama, M. W. Schmidt, M. S. Gordon, and J. Hasegawa |
J. Phys. Chem. A 120, 10273-10280 (2016) |
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論文等 |
A QM/MM Study of Absorption Spectra of Uracil Derivatives in Aqueous Solution |
A. Nakayama |
AIP Conf. Proc. 1790, 020018 (2016) |
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論文等 |
Role of the Acid-Base Sites in Catalytic Reactions at the Water/CeO2(111) Interface: First-Principles Simulations |
A. Nakayama |
International Symposium on Pure & Applied Chemistry (ISPAC) 2016 “Recent Advances in Pure & Applied Chemistry”, Borneo Convention Centre Kuching, Kuching, Sarawak, Malaysia, Aug. 15-18, 2016. |
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論文等 |
Catalytic Reactions at the Water/Ceria Interface: Role of the Acid-Base Sites |
A. Nakayama |
JST International Symposium on Multi-Scale Simulation of Condensed-Phase Reacting Systems (MSCRS2016), Nagoya, Japan, Oct. 10-13, 2016. |
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論文等 |
Catalytic reactions at the liquid/metal-oxide interface: role of the acid-base sites |
A. Nakayama |
Japan-France-Spain Joint Symposium on Theoretical and Computational Science of Complex Systems, Kyoto, Japan, Oct. 26-28, 2016. |
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論文等 |
酸化セリウム触媒の酸・塩基点の役割：第一原理シミュレーションによる解析 |
中山哲 |
ポスト「京」重点課題⑤「エネルギーの高効率な創出，変換・貯蔵，利用の新規基盤技術の開発」第１回連携推進ワークショップ：触媒元素戦略研究との連携を求めて，2016年11月29-30日，北海道大学，札幌市． |
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論文等 |
酸化セリウム触媒の酸・塩基特性に関する理論的研究 |
中山哲，田村正純，清水研一，長谷川淳也 |
第30回分子シミュレーション討論会，2016年11月30日-12月2日，大阪大学豊中キャンパス，大阪府豊中市． |
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論文等 |
酸化セリウム触媒の酸・塩基特性に関する理論的研究 |
中山哲，田村正純，清水研一，長谷川淳也 |
第118回触媒討論会，2016年9月21-23日，岩手大学，岩手県盛岡市． |
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論文等 |
First-Principles Simulations of Catalytic Reactions at the Water/CeO2(111) Interface: Role of the Acid-Base Sites |
A. Nakayama, M. Tamura, K. Shimizu, and J. Hasegawa |
ICC Pre-symposium of 16th International Congress on Catalysis (16th ICC-Pre) & 2nd International Symposium of Institute for Catalysis “Novel Catalysts for Energy and Environmental Issues”, Hokkaido University, Sapporo, Japan, Jun. 30-Jul.1, 2016. |
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論文等 |
Supramolecular Dimeric Structures of Pyrazole-containing Meso-Oxo Carbaphlorin Analogues |
Masatoshi Ishida, Hiroyuki Fujimoto, Tatsuki Morimoto, Shigeki Mori, Motoki Toganoh, Soji Shimizu & Hiroyuki Furuta |
Supramol. Chem. 2017, 29, 8-16. |
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論文等 |
Near-Infrared Phosphorescent Iridium(III) Benzonorrole Complexes Possessing Pyridine-based Axial Ligands |
Yogesh Kumar Maurya, Takahiro Ishikawa, Yasunori Kawabe, Masatoshi Ishida, Motoki Toganoh, Shigeki Mori, Yuhsuke Yasutake, Susumu Fukatsu, and Hiroyuki Furuta |
Inorg. Chem., 2016, 55, 6223–6230 |
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論文等 |
Fully Fused Quinoidal/Aromatic Carbazole Macrocycles with Poly-radical Characters |
Soumyajit Das, Tun Seng Herng, José L. Zafra, Paula Mayorga Burrezo, Masaaki Kitano, Masatoshi Ishida, Tullimilli Y. Gopalakrishna, Pan Hu, Atsuhiro Osuka, Juan Casado, Jun Ding, David Casanova, and Jishan Wu, |
J. Am. Chem. Soc. 2016, 138, 7782–7790 |
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論文等 |
Boron Difluoride Complexes of Expanded N-Confused Calix[n]phyrins That Demonstrate Unique Luminescent and Lasing Properties |
Masatoshi Ishida, Toshihiro Omagari, Ryuji Hirosawa, Keisuke Jono, Young Mo Sung, Yuhsuke Yasutake, Hidemitsu Uno, Motoki Toganoh, Hajime Nakanotani, Susumu Fukatsu, Dongho Kim, Hiroyuki Furuta |
Angew.Chem. Int. Ed. 2016, 55, 12045-12049. |
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論文等 |
Tetrathiafulvalene- (TTF-) Derived Oligopyrrolic Macrocycles |
Atanu Jana, Masatoshi Ishida, Jung Su Park, Steffen Bähring, Jan O. Jeppesen, and Jonathan L. Sessler |
Chem. Rev. 2017, 117, 2641-2710. |
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論文等 |
Donor-Acceptor Type A2B2 Porphyrins: Synthesis, Energy Transfer, Computational and Electrochemical Studies |
Sudipta Das, Haamid R. Bhat, Naresh Balsukuri, Prakash C. Jha, Yutaka Hisamune, Masatosi Ishida, Hiroyuki Furuta, Shigeki Mori and Iti Gupta |
Inorg. Chem. Front. 2017, 4, 618-638 |
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論文等 |
1,2-Propanediamineから誘導される光学活性な分岐状六座配位子を含むY(III)錯体の分光学的性質 |
森 健吾, 米田 宏, 鯉川雅之, 山田泰教 |
第66回錯体化学討論会, 福岡, 2016年9月, 講演番号2PA-002 |
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論文等 |
Efficient nonresonant multiphoton ionization in the femtosecond region |
A. Hamachi, H. Kouno, T. Imasaka, T. Imasaka |
Joint 13th Asia Pacific Physics Conference and 22nd Australian Institute of Physics Congress, 2016.12.7,Brisbane,Australia |
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論文等 |
A Simple Method for Evaluation of Pulse Width of an Ultraviolet Femtosecond Laser Used in Two-Photon Ionization Mass Spectrometry |
T. Imasaka, A. Hamachi, T. Okuno, T. Imasaka |
Applied Sciences-Basel,vol.6,136(2016) |
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論文等 |
Determination of Polycyclic Aromatic Hydrocarbons and Their Nitro-, Amino- Derivatives Absorbed on Particulate Matter 2.5 by Multiphoton Ionization Mass Spectrometry Using Far-, Deep-, and Near-Ultraviolet Femtosecond Lasers |
Y. Tang, T. Imasaka, S. Yamamoto, T. Imasaka |
Chemosphere,vol.152,pp.252-258 (2016) |
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論文等 |
Determination of Hexachlorocyclohexane by Gas Chromatography Combined with Femtosecond Laser Ionization Mass Spectrometry |
X. Yang, T. Imasaka, A. Li, T. Imasaka |
Journal of The American Society for Mass Spectrometry, vol.27, pp.1999-2005 (2016) |
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論文等 |
Determination of Fragrance Allergens by Ultraviolet Femtosecond Laser Ionization Mass Spectrometry |
S. Shibuta, T. Imasaka, T. Imasaka |
Analytical Chemistry, vol. 88, pp.10693-10700 (2016) |
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論文等 |
Spectral Properties of Allergy Substances in Fragrance Calculated for Use in Multiphoton Ionization Mass Spectrometry |
T. Imasaka, T. Imasaka |
40th International Symposium on Capillary Chromatography and 13th GCxGC Symposium, 2016.6.1,Riva del Garda,Italy |
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論文等 |
Determination of Allergy Substances in Fragrances by Capillary Gas Chromatography / Laser Ionization Mass Spectrometry Using a Femtosecond Laser as an Ionization Source |
S. Shibuta, T. Imasaka, T. Imasaka |
40th International Symposium on Capillary Chromatography and 13th GCxGC Symposium, 2016.6.3,Riva del Garda,Italy |
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論文等 |
An ultraviolet femtosecond laser for multiphoton ionization in mass spectrometry |
T. Fujii, T. Imasaka, T. Imasaka |
Joint 13th Asia Pacific Physics Conference and 22nd Australian Institute of Physics Congress, 2016.12.8,Brisbane,Australia |
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論文等 |
Femtosecond ionization mass spectrometry: an advanced tool for the analysis of pollutants, explosives, and nerve agents |
A. Hamachi, T. Imasaka, T. Imasaka |
13th Asian Conference on Analytical Sciences (ASIANALYSIS XIII),2016.12.11, Chiang Mai, Thailand |
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論文等 |
多光子イオン化質量分析法を用いるニトロ多環芳香族炭化水素の還元計測 |
藤井卓也、今坂 智子、今坂 藤太郎 |
日本分析化学会第65年会予稿集D3007、2016年9月、札幌 |
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論文等 |
Based Bipolar Hosts to Harvest Nearly All of the Excitons from Blue Delayed Fluorescence and Phosphorescent Organic Light‐Emitting Diodes. |
Cui, L.S., Kim, J.U., Nomura, H., Nakanotani, H. and Adachi, C., 2016. |
Angewandte Chemie International Edition, 55(24), pp.6864-6868., 2016 |
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論文等 |
Controlling Synergistic Oxidation Processes for Efficient and Stable Blue Thermally Activated Delayed Fluorescence Devices. |
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Advanced Materials, 28(35), pp.7620-7625., 2016 |
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論文等 |
Controlling Singlet–Triplet Energy Splitting for Deep‐Blue Thermally Activated Delayed Fluorescence Emitters. |
Cui, L.S., Nomura, H., Geng, Y., Kim, J.U., Nakanotani, H. and Adachi, C. |
Angewandte Chemie., 2016 |
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論文等 |
Controlling Synergistic Oxidation Processes for Efficient and Stable Blue Thermally Activated Delayed Fluorescence Devices. |
Cui, L.S., Deng, Y.L., Tsang, D.P.K., Jiang, Z.Q., Zhang, Q., Liao, L.S. and Adachi, C. |
Advanced Materials, 28(35), pp.7620-7625., 2016 |
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論文等 |
Theoretical Studies of Quantum-dot Cellular Automata based on Biferrocenediboronic Acid |
Ken Tokunaga |
Energy Materials and Nanotechnology Qingdao Meeting 2016 (EMN Qingdao Meeting 2016)、招待講演、2016年6月8日、青島（中国） |