Thursday, September 11 (13:30 - 15:05)
The number before P in the Presentation Number indicates whether the poster presentation is given on the 1st, 2nd, 3rd, or 4th day of the meeting.
Room P
[Gas phase]
13:30-15:05
| 3P001 | Molecule-deformation dependence of photoelectron circular dichroism of (-)-Fenchone (Grad. Sch. of Adv. Sci. & Eng., Hiroshima Univ.) *Yuxiao Xiao, Momiji Karino, Hiroshi Kohguchi |
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13:30-15:05
| 3P002 | Proposal of an XUV-SPIDER Technique Using Photoelectron Spectrometry for High-Harmonic Characterization (RIKEN) *Dai Ikeda, Yasuo Nabekawa, Eiji Takahashi |
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13:30-15:05
| 3P003 | Observation of circularly polarized laser-assisted electron scattering by D-limonene molecules (Graduate School of Science, TMU) *Hiroto Ikeda, Suzuka Dobashi, Kenya Nomura, Takuma Okumura, Reika Kanya |
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13:30-15:05
| 3P004 | Rotational spectroscopy of naphthalene dimers based on Coulomb explosion imaging (School of Science, Institute of Science Tokyo1,School of Science, Kitasato Univ.2) *Riku Sato1, Kenta Mizuse2,1, Yasuhiro Ohshima1 |
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13:30-15:05
| 3P005 | Controlling hydrogen migration in acetonitrile by ω-2ω intense laser fields (Grad. Sc. Sci., Nagoya Univ.1,RCMS Nagoya Univ.2) *Sato Miyasaka1, Yuki Ono1, Hiroka Hasegawa1, Akitaka Matsuda1, Akiyoshi Hishikawa1,2 |
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13:30-15:05
| 3P006 | Excited-state dynamics of solvated-acridine clusters (Graduate School of Science, Fukuoka Univ.1,Department of Chemistry, Fukuoka Univ.2) *Chikara Takade1, Aya Takahashi2, Kenshin Kimura2, Mai Nakamura2, Yuji Yamada2, Yoshinori Nibu2 |
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13:30-15:05
| 3P007 | IR spectroscopy of protonated methylamine clusters: Structural investigation of the hydrogen-bond networks formed by NH groups (Graduate School of Science, Tohoku Univ.) *Atsuya Mizuide, Asuka Fujii |
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13:30-15:05
| 3P008 | Effect of buffer gas on the cooling process of hydrated phenol cations (2): Formation of hydrogen adducts and their hydrogen bond structures (Graduate School of Science, Kitasato Univ.1,Kitasato Univ.2) *Yuina Hoshi1, Yu Sakaue1, Shoma Hoshino2, Haruki Ishikawa2 |
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13:30-15:05
| 3P009 | Effect of metal ion size and charge on the gas-phase conformations of crown ether complexes: structural analysis by ion mobility-mass spectrometry (Graduate School of Science, Tohoku Univ.1,Faculty of Education, Hokkaido Univ. of Education2) *Ryosuke Ito1, Keijiro Ohshimo2, Fuminori Misazu1 |
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13:30-15:05
| 3P010 | MIR anharmonic vibrational analysis of micro-solvated ammonium ion clusters (Institute of Atomic and Molecular Sciences, Academia Sinica1,Graduate School of Science, Tohoku Univ.2) Qian-rui Huang1, *Yaodi Yang2, Jer-lai Kuo1, Asuka Fujii2 |
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13:30-15:05
| 3P011 | Elucidation of the microscopic solvation effects on ion selectivity of crown ethers using cryogenic ion infrared trap spectroscopy (Institute of Science Tokyo1,Illinois Univ.2,IRFI3,Chuo Univ.4) *Akira Ohara1, Ryu Sakuma1, Keisuke Hirata1, Lisy James m.2,3, Masaaki Fujii4, Shun-ichi Ishiuchi1 |
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13:30-15:05
| 3P012 | Theoretical study of the H₃⁺ + HNCO collision reactions using machine learning full-dimensional potential energy surface (Graduate School of Science and Engineering, Saitama Univ.1,Graduate School of Urban Environmental Sciences, Tokyo Metropolitan Univ.2,Faculty of Science and Technology, Sophia Univ.3,Graduate School of Nanobioscience, Yokohama City Univ.4) Tatsuhiro Murakami2, *Haruki Ota1, Shoto Nakagawa1, Kunihiro Okada3, Masanori Tachikawa4, Toshiyuki Takayanagi1 |
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13:30-15:05
| 3P013 | Precise control of an optical cavity to observe gas-phase vibrational polaritons (Grad. Sch. Integr. Sci. Technol.,Shizuoka Univ.1,Dept. Chem., Fac. Sci., Shizuoka Univ.2) *Eiyu Mitsukawa1, Yuma Oyaide1, Taiki Furukawa1, Kaichi Miyashita1, Yoshiteru Matsumoto2 |
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[Clusters]
13:30-15:05
| 3P014 | Ligand control for the creation of thiolate-protected gold-platinum alloy nanoclusters with high catalytic activity (Graduate School of Science, Tokyo University of Science1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku Univ.2) *Sara Yoshikawa1, Yoshiki Niihori1, Tokuhisa Kawawaki2, Yuichi Negishi2 |
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13:30-15:05
| 3P015 | Synthesis of Ta–Nb heteropolyoxometalates and their application in CO2 fixation reactions (Graduate School of Science, Tokyo Metropolitan University, Japan) *Nattamon Panichakul, Soichi Kikkawa, Koichi Kikuchi, Hideyuki Kawasoko, Seiji Yamazoe |
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13:30-15:05
| 3P016 | Elucidation of the localized nature of the valence electrons derived from the unevenness of the core structure of [Au23(SC6H11)16]– (Grad. School of Science, The University of Tokyo) *Yosuke Asami, Shun Ito, Kiichirou Koyasu, Tatsuya Tsukuda |
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13:30-15:05
| 3P017 | Photoelectron imaging of Alₙ⁻ (n = 3–23) using a high-repetition-rate deep ultraviolet laser (Graduate School of Science, Kyushu Univ.) *Yuta Ushiki, Yuta Suzuki, Yuma Aoki, Rin Nomi, Yusuke Okamoto, Akira Terasaki, Takuya Horio |
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13:30-15:05
| 3P018 | Photoreaction analysis by atmospheric pressure droplet laser ablation mass spectrometry (Gakushuin Univ.) *Yuki Anami, Miu Jalloh, Shun Sakurai, Fusae Kawashima, Kenichi Okutsu, Jun-ya Kohno |
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13:30-15:05
| 3P019 | Precise synthesis of noble metal alloy nanoclusters with ultrafine microreactor (Keio Univ., Faculty of Science and Technology.1,Shibaura Machine Co., Ltd.2) *Kenji Urabe1, Kurinosuke Moriyama1, Hidenari Takemoto1, Katsutoshi Tanaka2, Atsushi Nakajima1 |
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13:30-15:05
| 3P020 | Gas-phase synthesis and oxidation resistance of silicon cage nanoclusters with a few central metal atoms (Faculty of Science and Technology, Keio Univ.) *Yuto Keyari, Ryoichi Sato, Tsugunosuke Masubuchi, Atsushi Nakajima |
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13:30-15:05
| 3P021 | Reactivity of single-sized molybdenum nanoclusters on organic substrates for nitrogen molecules (Faculty of Science and Technology, Keio Univ.) *Yuri Asai, Ryoichi Sato, Miwa Tokita, Takashi Nishikawa, Atsushi Nakajima |
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13:30-15:05
| 3P022 | Synthesis of noble metal-light element amorphous nanoparticles (Graduate school of Science, Kyoto Univ.1,URC, Kyushu Univ.2,Graduate School of Engineering, Kyushu Univ.3,JASRI/SPring-84) *Kenta Ikeda1, Megumi Mukoyoshi1, Takaaki Toriyama2, Tomokazu Yamamoto3,2, Yasukazu Murakami3,2, Hirotaka Ashitani4, Shogo Kawaguchi4, Hiroshi Kitagawa1 |
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[Solid phase]
13:30-15:05
| 3P023 | Development of a wide-area and high-speed scanning unit using a voice coil actuator (NAIST) *Yuki Nakagawa, Garrek Stemo, Hiroyuki Katsuki |
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13:30-15:05
| 3P024 | Synthesis and structures of novel hydrogen-bonded charge-transfer complexes utilizing hydroxypyrene derivatives (Faculty of Advanced Science and Technology, Kumamoto University1,Graduate School of Engineering Science, The University of Osaka2) *Nonoka Masunaga1, Shuichi Suzuki2, Akira Ueda1 |
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13:30-15:05
| 3P025 | Synthesis of Dialkyl DCNQI Derivatives and Evaluation of n-Type Transistor Characteristics (Graduate School of Natural Science, Konan Univ.1,Department of Chemistry, Konan Univ.2) *Hikaru Takashima1, Shigeru Ikeda2, Atsushi Kimoto2, Kosuke Katagiri2, Muneyuki Naito2, Tomofumi Kadoya2 |
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13:30-15:05
| 3P026 | Exploration for new polymorphs of nickel phthalocyanine (Graduate School of Science and Technology, Kumamoto Univ.1,Faculty of Advanced Science and Technology, Kumamoto Univ.2) *Ayane Umeda1, Kiyonori Takahashi2, Masaki Matsuda2 |
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13:30-15:05
| 3P027 | Negative magnetoresistance effect in axially ligated ruthenium phthalocyanine conductors (Graduate School of Science and Technology, Kumamoto Univ.1,Department of Chemistry, De La Salle Univ.2,Department of Physics, Osaka Univ.3,Faculty of Advanced Science and Technology, Kumamoto Univ.4) *Ryutaro Tokunaga1, Eiza Shimizu2, Derrick e. c. Yu2, Noriaki Hanasaki3, Kiyonori Takahashi4, Masaki Matsuda4 |
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13:30-15:05
| 3P028 | Preparation of organic–inorganic hybrid polyoxometalates incorporating methoxyphenylphosphonic Acids (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,CResCent, Hiroshima Univ.2,PRESTO, JST3) *Ryunosuke Wataya1, Hiroto Kaitori1, Masato Haneda1, Chisato Kato1, Jun Manabe1, Takayoshi Nakamura1, Sadafumi Nishihara1,2,3 |
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13:30-15:05
| 3P029 | Theoretical studies on electronic properties and magnetic interactions in Mn12-acetate cluster as single molecule magnet (Osaka Univ.1,Univ. Tsukuba2,Osaka Univ.3) *Takashi Kawakami1, Mizuki Otsuka1, Koichi Miyagawa2, Shusuke Yamanaka1, Mitsutaka Okumura1, Kizashi Yamaguchi3 |
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13:30-15:05
| 3P030 | Development of novel organic conductors based on carboxy-TTF: the possibility of hole-doping of TTF by partial deprotonation of the carboxy group (Faculty of Advanced Science and Technology, Kumamoto University1,Graduate School of Engineering Science, The University of Osaka2) *Daiki Tsugami1, Yoshiki Kaneko1, Shuichi Suzuki2, Akira Ueda1 |
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13:30-15:05
| 3P031 | Molecular rotation of imino-nitroxide radical derivatives in crystals (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,IMRAM, Tohoku Univ.2,CResCent, Hiroshima Univ.3,PRESTO, JST4) *Shoya Harada1, Risa Miyatake1, Masato Haneda1, Chisato Kato1, Jun Manabe1, Tomoyuki Akutagawa2, Takayoshi Nakamura1, Sadafumi Nishihara1,3,4 |
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13:30-15:05
| 3P032 | Synthesis of a new cyclic polyoxometalate containing pyridine–ethyl ether chains (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,CResCent, Hiroshima Univ.2,PRESTO, JST3) *Fuga Onishi1, Hiroto Kaitori1, Masato Haneda1, Chisato Kato1, Jun Manabe1, Takayoshi Nakamura1, Sadafumi Nishihara1,2,3 |
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13:30-15:05
| 3P033 | Electronic structure calculations on n-type doping of SWCNTs via adsorption of phosphine and amine molecules (Graduate School of Science, Japan Women’s Univ.1,Faculty of Science, Japan Women’s Univ.2,Graduate School of Engineering, Nagoya Univ.3) *Miya Matsuzaki1, Mina Shimamoto2, Hidayat Achmad syarif3, Naoki Ueoka3, Yutaka Matsuo3, Azusa Muraoka1 |
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13:30-15:05
| 3P034 | Dielectric Properties of molybdenum-substituted Preyssler-type polyoxometalates encapsulating with lanthanide ions (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,Graduate School of Sciences and Technology for Innovation, Yamaguchi Univ.2,CResCent, Hiroshima Univ.3,PRESTO, JST4) *Chisato Kato1, Ryo Tsunashima2, Takayoshi Nakamura1, Sadafumi Nishihara1,3,4 |
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13:30-15:05
| 3P035 | Dielectric Property Evaluation of Pleyssler-Type Polyoxometalate–LDHs Composites (Graduate School of Sciences and Technology for Innovation, Yamaguchi Univ1,NIT, Ube Collage2,Graduate School of Advanced Science and Engineering, Hiroshima Univ.3) *Yuta Kawamura1, Masaru Hujibayashi2, Atsuko Suzuki1, Sadafumi Nishihara3, Ryo Tsunashima1 |
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13:30-15:05
| 3P036 | Effects of substituent modification on structures and physical properties in canted antiferromagnetic single-component molecular conductors (Collage of Science, Rikkyo university1,Graduate School of Science and Engineering, Ibaraki University, Japan2,The Institute for Solid State Physics, The University of Tokyo3) *Shota Arai1, So Yokomori2, Hatsumi Mori3, Nobuyuki Matsushita1 |
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13:30-15:05
| 3P037 | Crystallization and structure of halide solid solutions of ptaH･X(X=Cl, Br, I) (Graduate School of Science and Technology for Innovation, Yamaguchi Univ.) *Yukino Ohtsubo, Yuki Ohishi, Atsuko Masuya-suzuki, Ryo Tsunashima |
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13:30-15:05
| 3P038 | Quantum chemical calculations of organic semiconductor molecules containing π-extended diketopyrrolopyrrole (DPP) frameworks (Graduate School of Science and Engineering, Kindai Univ.1,Graduate School of science, Tohoku Univ.2) *Shogo Nakajima1, Kento Nakajima1, Tomoki Nishiyama2, Taiki Yamaoka1, Naohiro Takahashi1, Senku Tanaka1, Takashi Okubo1, Hirotaka Kitoh1 |
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13:30-15:05
| 3P039 | Circular polarized light response of OFETs with active layers composed of chiral perylenediimide derivatives and polyfluorene (Graduate School of Science and Engineering, Ibaraki University) *Rikuto Fukuda |
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[Surface]
13:30-15:05
| 3P040 | Theoretical investigation on the effects of surface reduction of Au/ZnO catalyst on CO oxidation mechanisms (Graduate School of Science, Osaka Univ.) *Tomohisa Yonemori, Takashi Kawakami, Shusuke Yamanaka, Mitsutaka Okumura |
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13:30-15:05
| 3P041 | Theoretical Study on the stability and electronic structure of Ti/Zr and TiO2/ZrO2 by dopants (Grad. Sch., Hiroshima Univ.1,Grad. Sch. Sci, Osaka Metropolitan Univ.2) *Masato Fukushima1, David samuel Rivera rocabado2,1, Yusuke Kanematsu1, Takayoshi Ishimoto1 |
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13:30-15:05
| 3P042 | Observation of ultrafast electron dynamics at semiconductor quantum dots films by two-photon photoemission spectroscopy (Graduate School of Engineering, Osaka Metropolitan Univ.) *Ren Morishita, Kaan Wakabayashi, Ryuta Shimomaki, Takumi Ishikawa, Daegwi Kim, Masahiro Shibuta |
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13:30-15:05
| 3P043 | Anisotropy mapping of the surface of photoalignment films via sum-frequency generation spectroscopy (Graduate School of Science and Engineering, Chiba Univ.1,Molecular Chirality Research Center, Chiba Univ.2,Soft Molecular Activation Research Center, Chiba Univ.3) *Ryo Nakano1, Takayuki Miyamae1,2,3 |
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13:30-15:05
| 3P044 | Thickness Measurement of Aromatic Molecular Films on Gold Substrates and Gold Nanoparticles by X-ray Photoelectron Spectroscopy (KOSEN, Kochi College1,Graduate School of Advanced Science and Technology, Hiroshima Univ.2,Graduate School of Humanities and Social Sciences, Hiroshima Univ.3,Research Institute for Synchrotron Radiation Science, Hiroshima Univ.4) *Shogo Tendo1, Kakuto Yoshioka2, Akinobu Niozu3, Shohei Asakura2, Yuri Ohura2, Hayate Inoue2, Shin-ichi Wada2,4 |
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13:30-15:05
| 3P045 | Observation of ultrafast photoexcited dynamics at two-dimensional materials by femtosecond time-resolved microspectroscopy using a photonic crystal fiber (Graduate School of Engineering, Osaka Metropolitan Univ.) *Rikuto Fukuda, Kyosuke Kishihata, Ryo Man-mami, Hiroaki Atumi, Daegwi Kim, Masahiro Shibuta |
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13:30-15:05
| 3P046 | Surface structure analysis of cryogenic amorphous solid water using infrared spectroscopy and temperature dependent desorption (Graduate School of Arts and Sciences, The Univ. of Tokyo) *Takeshi Hasegawa, Ian fitch Mochida, Tetsuya Hama |
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13:30-15:05
| 3P047 | Evaluation of electrochemical hydrogen evolution reaction activity of nanostructured electrodes (Graduate School of Chemical Sciences and Engineering, Hokkaido University1,Faculty of Science, Hokkaido University2,JST-PRESTO3) *Sennosuke Torii1, Daiki Sato2, Tomohiro Fukushima2,3, Masaki Itatani2, Kei Murakoshi2 |
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13:30-15:05
| 3P048 | Localization of vibrational excitation in the Langmuir monolayer on water surface studied by interferometric 2D HD-VSFG spectroscopy (Molecular Spectroscopy Laboratory, RIKEN1,Ultrafast Spectroscopy Research Team, RIKEN Center for Advanced Photonics (RAP), RIKEN2) *Woongmo Sung1, Satoshi Nihonyanagi1,2, Tahei Tahara1,2 |
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[Liquid phase]
13:30-15:05
| 3P049 | Effect of trehalose as a bioprotectant on the photoexcitation dynamics of indigo carmine (Graduate School of Life Sciences, Ritsumeikan University.) *Riku Tomoyuki, Yugo Isawa, Yuki Shimizu, Reona Yoshida, Yutaka Nagasawa |
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13:30-15:05
| 3P050 | The effect of inhomogeneous structure in ionic liquids on the emissive properties of dye molecules (Graduate School of Science, Kyushu Univ.) *Shintaro Yamamoto, Tomohiro Ogawa, Kiyoshi Miyata, Ken Onda |
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13:30-15:05
| 3P051 | Electronic state characteristics and two-photon absorption properties of azulenylalkynes (Graduate School of Science and Engineering, Aoyama Gakuin Univ.1,Osaka Inst. Tech.2) *Kanako Michishita1, Wataru Kashihara2, Ryo Takeuchi1, Tadashi Suzuki1 |
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13:30-15:05
| 3P052 | Multiphase reactions of unsaturated organic compounds with ozone (Master Program of Chemistry, Univ. of Tsukuba) *Yuya Tamura, Naoki Numadate, Shinichi Enami |
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13:30-15:05
| 3P053 | Orientation effects of cations on charge transfer reaction rates in pyridinium ionic liquids (Graduate School of Science and Engineering, Doshisha Univ1,National Institute of Advanced Science and Technology (AIST)2,Faculty of Science and Engineering, Doshisha Univ3) *Uta Sakamaki1, Kaori Fujii2, Takatsugu Endo3, Yoshifumi Kimura1,3 |
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13:30-15:05
| 3P054 | Ultrafast spectroscopy of oligorylene molecules and application to exciton polaritons (NAIST) *Makoto Shimauchi, Hiroyuki Katsuki, Naoki Aratani, Garrek Stemo |
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13:30-15:05
| 3P055 | Ionic conductivity modulation depending on cavity characteristics under vibrational strong coupling (Graduate School of Chemical Sciences and Engineering, Hokkaido University1,Faculty of Science, Hokkaido University2,JST-PRESTO3) *Kasumi Goto1, Hirotaka Motokawa1, Tomohiro Fukushima2,3, Masaki Itatani2, Kei Murakoshi2 |
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13:30-15:05
| 3P056 | Formation of transient chelate complexes of symmetric and asymmetric SBP derivatives (Graduate School of Life Science, Ritsumeikan Univ.) *Yuka Higeno, Yugo Isawa, Kento Takase, Yutaka Nagasawa |
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13:30-15:05
| 3P057 | Pulsed ESR observation of addition reactions of hydroxyalkane type radicals to 2,2'-[Thiocarbonylbis(sulfanediyl)]dipropionic Acid (Graduate School of Science, Kanagawa Univ.1,Faculty of Science, Kanagawa Univ.2,Faculty of Molecular Chemistry and Engineering, Kyoto Institute of Technology3,Institute for Quantum Life Science(iQLS), National institutes for Quantum Science and Technology(QST)4) *Masatoshi Kato1, Takashi Inaba2, Yoko Kawai2, Yusuke Miyake3, Ikuo Nakanishi4, Akio Kawai2,4 |
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13:30-15:05
| 3P058 | Reaction mechanism analysis of catalytic nitrogen fixation by molybdenum complex using quantum chemical calculations (Fukui Institute for Fundamental Chemistry, Kyoto Univ.1,Institute for Material Chemistry and Engineering, Kyushu Univ.2,School of Engineering, The University of Tokyo3,School of Liberal Arts and Science, Daido Univ.4) *Taiji Nakamura1, Asuka Konomi1,2, Kazuya Arashiba3, Hiromasa Tanaka4, Yoshiaki Nishibayashi3, Kazunari Yoshizawa1 |
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13:30-15:05
| 3P059 | Aqueous malonic acid by X-ray emission spectroscopy (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,MAX IV Laboratory, Lund Univ.2,RIKEN SPring-8 Center3,Research Institute for Synchrotron Radiation Science, Hiroshima Univ.4) *Risa Okada1, Taiga Suenaga1, Ryosuke Yamamura1, Tokushima Takashi2, Masaki Oura3, Osamu Takahashi4 |
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13:30-15:05
| 3P060 | Picosecond time-resolved photoluminescence dynamics of thermally activated delayed fluorescence molecules (Department of Chemistry, Kyushu University1,OPERA, Kyushu University2) *Masahito Oura1, Chihaya Adachi2, Tatsuya Yoshida1, Tomohiro Ogawa1, Kiyoshi Miyata1, Ken Onda1 |
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[Biomolecules]
13:30-15:05
| 3P061 | Development of infrared imaging methods for a living nematode, c. elegans, using anesthetics or optogenetic control (Graduate School of Engineering, Nagoya Institute of Technology1,Graduate School of Science, Osaka Metropolitan University2,Optobiotechnology Research Center3,The OMU Advanced Research Institute for Natural Science and Technology, Osaka Metropolitan University4) *Nodoka Wakita1, Akiko Ito1, Ryu Sato2, Tatsuro Nishikino1,3, Mitsumasa Koyanagi2,4, Yuji Furutani1,3 |
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13:30-15:05
| 3P062 | Photothermal energy conversion of a small heme protein cytochrome b5 (Graduate School of Science, Osaka Univ.) *Shima Ooto, Haruto Ishikawa, Taito Urui, Yasuhisa Mizutani |
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13:30-15:05
| 3P063 | Visualization of TDP-43 liquid-droplets by Raman microscopy and differences in phase separation modes in nucleus and cytoplasm (Faculty of Pharmaceutical Sciences, Tohoku Univ1,Graduate School of Pharmaceutical Sciences, Tohoku Univ2) *Musashi Fujikawa1, Shinji Kajimoto1,2, Takakazu Nakabayashi1,2 |
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13:30-15:05
| 3P064 | Elucidating the Mechanism of Neuronal Differentiation Induced by Nanosecond Pulsed Electric Fields Using Raman Microscopy (Graduate School of Pharmaceutical Sciences, Tohoku Univ.) *Ohsuke Irikura, Shinji Kajimoto, Takakazu Nakabayashi |
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13:30-15:05
| 3P065 | Molecular property of a newly discovered light driven-inward proton pump, EltXeR (ISSP, Univ. Tokyo1,Department of Physiology, Genetics and Microbiology, University of Alicante2,Faculty of Biology, Technion—Israel Institute of Technology3,The Nancy and Stephen Grand Technion Energy Program (GTEP), Technion—Israel Institute of Technology4) *Yoshitaka Kato1, Borja Aldeguer-riquelme2, Oded Beja3,4, Josefa Anton2, Keiichi Inoue1 |
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13:30-15:05
| 3P066 | Molecular dynamics simulation of Light-Harvesting Complex 2 and 3 (Graduate School of Science and Engineering,Kindai Univ1,Faculty of Science and Engineering,Kindai Univ2) *Shinichi Sato1, Natsuya Hotta2, Shota Kawato1, Yoshitaka Saga1, Hirotaka Kitoh-nishioka1 |
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13:30-15:05
| 3P067 | Docking simulation of quinone and chlorophyll molecules to photosynthetic reaction centers (Graduate School of Science and Engineering,Kindai Univ1,Faculty of Science and Engineering,Kindai Univ2,Graduate School of Science,Nagoya Univ3) *Kotaro Tatsuoka1, Ayumu Takagi1, Natsuya Kashida2, Akihiro Kimura3, Shigeru Itoh3, Hirotaka Kitoh1 |
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13:30-15:05
| 3P068 | Evaluation of diffusion properties and phase-separated structures in mixed lipid bilayers using single-molecule tracking based on monochromatic excitation fluorescence switching (MEFS) (Graduate School of Engineering Science, Osaka University1,Institute for Molecular Science2,Department of Chemistry, Rikkyo University3) *Kosuke Yoshihara1, Bhagya lakshmi Sankaramangalam balachandran1, Yuki Amatsu1, Nozomi Watanabe1, Hiroshi Umakoshi1, Masakazu Morimoto3, Hikaru Kuramochi1,2, Syoji Ito1 |
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[Theory]
13:30-15:05
| 3P069 | Elucidating degradation mechanisms of aliphatic amine-based carbon dioxide absorbents using reaction path search method (Department of Applied Chemistry, Yamaguchi Univ.1,Department of Applied Chemistry, Yamaguchi Univ.2) *Shunta Toma1, Yosuke Sumiya2 |
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13:30-15:05
| 3P070 | Theoretical analysis of excited state structure and relaxation dynamics of open-shell metalloporphyrins as energy conversion materials (Graduate School of Bionanoscience, Yokohama City Univ.) *Koichi Yamashita |
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13:30-15:05
| 3P071 | Hidden intermediates in sigmatropic rearrangement reactions (Grad. Sci., Saitama Univ.) *Keita Yamaki, Naoki Matsumoto, Toshiyuki Takayanagi |
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13:30-15:05
| 3P072 | Analysis of hydrophobic hydration shell via vibrational difference spectroscopy (Graduate School of Science, Tohoku Univ.) *Koyo Suzuki, Tomonori Hirano, Akihiro Morita |
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13:30-15:05
| 3P073 | Theoretical calculations of resonant inelastic soft X-ray scattering based on semi-classical approximation-Application to methanol - (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,HiSOR2) *Hikari Sato1, Osamu Takahashi2 |
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13:30-15:05
| 3P074 | Effect of intermolecular interactions on bulk viscosity of simple liquids based on local structural relaxation (Graduate School of Science and Technology, Niigata Univ.1,Graduate School of Frontier Engineering, Kitasato Univ.2,Faculty of Science and Technology, Niigata Univ.3) *Hiromu Kobayashi1, Yoshiki Ishii2, Norikazu Ohtori3 |
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13:30-15:05
| 3P075 | Theoretical study on mechanochromism of thenildiketones (Graduate School of Engineering, Kyoto Univ.1,PRESTO, JST2,Institute of Transformative Bio-Molecules, Nagoya Univ.3,Fukui Institute for Fundamental Chemistry, Kyoto Univ.4) *Keita Ohyama1, Hiroki Uratani1,2, Kanami Sugiyama1, Yousuke Tani3, Hirofumi Sato1,4 |
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13:30-15:05
| 3P076 | Development of force-field optimization scheme using automatic differentiation: application to molecular crystal electrolyte (Lab. Chem. Life Sci., Science Tokyo1,School of Materials and Chemical Technology, Science Tokyo2,Sch. Adv. Sci. Eng, Waseda Univ.3) *Ryoma Sasaki1,2, Dan Ito3,2, Yoshitaka Tateyama1,2 |
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13:30-15:05
| 3P077 | Theoretical study on metal oxide surface with oxygen defects under electric current (Hokkaido Univ CSE1,Hokkaido Univ ICAT2) *Shunsuke Toyama1, Kenji Iida2, Jun-ya Hasegawa2 |
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13:30-15:05
| 3P078 | Molecular Dynamics Simulation of Linear Hydrocarbon Molecules at Zeolite Interfaces (Grad. Sch. Hiroshima Univ1,Grad. Sch. of Sci. Osaka Metropilitan Univ2) *Hinata Fujisaki1, Yusuke Kanematsu1, David samuel Rivera rocavado2,1, Takayoshi Ishimoto1 |
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13:30-15:05
| 3P079 | Transition moment for magnetic near-field excitation (Faculty of Science, Hokkaido Univ.1,WPI-ICRedd, Hokkaido Univ.2) *Takeshi Iwasa1,2 |
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13:30-15:05
| 3P080 | Theoretical study on the interaction between metal cluster and metal-oxide support (Graduate School of Advanced Science and Engineering, Waseda Univ.1,MANA, NIMS2,WISE, Waseda Univ.3) *Miyu Onishi1, Ayako Nakata2, Hiromi Nakai1,3 |
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13:30-15:05
| 3P081 | Molecular Simulation Study on the Conformational Dynamics and Activation Pathway of Melanopsin (Grad. Sch. Integr. Sci. & Eng., Kyushu Univ.niv.1,Graduate School of Science, Kobe Univ.2,Inst. Mater. Chem. & Eng., Kyushu Univ.3) *Ruisi Zou1, Kohei Obayashi2, Hisao Tsukamoto2, Toshifumi Mori1,3 |
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13:30-15:05
| 3P082 | Mechanism of high brightness in bioluminescence using akaluc mutant of artificial luminescent substrate acarmine (Graduate School of Engineering,Chiba Inst. of Tech.1,Pharmaceutical department,Wakayama Medical Univ.2) *Hanae Koshi1, Toru Nakatsu2, Norifumi Yamamoto1 |
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13:30-15:05
| 3P083 | Theoretical study of nitrite reduction by a chromium complex (IMCE, Kyushu Univ.) *Yu Furukawa, Yoshihito Shiota |
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13:30-15:05
| 3P084 | Peptide Structural Stability in Ionic Liquids: An All-Atom Molecular Dynamics Study (Graduate School of Engineering science, Osaka Univ.) *Mototakashi Chin, Hervoe-hansen Stefan, Kento Kasahara, Nobuyuki Matubayasi |
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13:30-15:05
| 3P085 | Applying natural reaction orbital method to the reaction path network (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Department of Chemistry, Faculty of Science, Hokkaido Univ.2,Institute for Quantum Chemical Exploration3,WPI-ICReDD, Hokkaido Univ.4) *Tatsuhiro Nakanishi1, Takuro Tsutsumi2, Yuriko Ono2,3, Kazuki Sada2, Tetsuya Taketsugu2,4 |
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13:30-15:05
| 3P086 | Amide band prediction of rhodopsin using local anharmonic vibrational calculation (Graduate School of Science and Technology, Tsukuba Univ.1,Department of Life Science and Applied Chemistry, Nagoya Institute of Technology2,OptoBioTechnology Research Center, Nagoya Institute of Technology3) *Nao Matsuyama1, Kiyoshi Yagi1, Kota Katayama2,3 |
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13:30-15:05
| 3P087 | Multimodalization of the automated chemical experiment record system for Electronic Laboratory Notebooks through sensor data integration (Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda Univ.1,Waseda Research Institute for Science and Engineering2) *Hayato Takahashi1, Mikito Fujinami1,2, Kousuke Senda1, Takanori Shibata1, Hiromi Nakai1,2 |
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13:30-15:05
| 3P088 | Theoretical Study on the Structures and Reactions of Gallylenes with Phenalenyl-Type Ligands and Their Derivatives (Grad. Sch. Eng. Sci., Osaka Univ.1,QIQB, Osaka Univ.2,ISC-OTRI, Osaka Univ.3,Grad. Sch. Eng., Osaka Univ.4,OTRI-Spin, Osaka Univ.5) *Manaya Kawasaki1, Ryohei Kishi1,2,3, Nijito Mukai4, Takuya Kodama3,4, Mamoru Tobisu3,4, Kohei Tada1, Yasutaka Kitagawa1,2,3,5 |
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13:30-15:05
| 3P089 | Static correlation calculation using divide-and-conquer method based on renormalized-1-particle reduced density matrix (Graduate school of Advanced science and engineering, Waseda univ.1,Waseda Research Institute for Science and Engineering2) *Yuya Akatsu1, Chinami Takashima1, Hiromi Nakai1,2 |
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13:30-15:05
| 3P090 | Evaluation of inhibitory activity of metalloenzymes based on binding free energy (Graduate School of Biomedical Information Sciencies, Hiroshima City University) *Ryoma Shimizu, Toru Saito |
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13:30-15:05
| 3P091 | Development and demonstration of in silico ligand optimization using virtual arsine method (Graduate school of chemical sciences and engineering, Hokkaido Univ.1,Faculty of science, Hokkaido Univ.2,JST-ERATO3,WPI-ICReDD, Hokkdaido Univ.4) *Ren Yamada1, Satoshi Maeda2,3,4, Wataru Matsuoka2,3,4 |
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13:30-15:05
| 3P092 | Theoretical insight into electrochemical C–N bond formation using haloanthracene (Graduate School of Arts and Sciences, The Univ. of Tokyo1,Department of Chemistry and Life Science, YNU2) *Kayo Suda1, Atsuki Hirama2, Shohei Yoshinaga2, Mahito Atobe2, Naoki Shida2, Daisuke Yokogawa1 |
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13:30-15:05
| 3P093 | Development of predictive model for synthetic feasibility in radical polymerization of amide-based polymers (Graduate School of Chemical Science and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2) *Kotaro Onishi1, Takuro Tsutsumi1,2, Gikyo Usuki1, Kazuki Sada1,2 |
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13:30-15:05
| 3P094 | Theoretical and machine learning study for reaction-barrier predictions: acrylate and methacrylate radical reactions (Graduate School of Nanobioscience, Yokohama City Univ.1,Graduate School of Advanced Science and Engineering, Hiroshima Univ.2) *Makito Takagi1, Tomomi Shimazaki1, Osamu Kobayashi1, Takayoshi Ishimoto2, Masanori Tachikawa1 |
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13:30-15:05
| 3P095 | Density functional theory calculation for methane partial oxidation over metal oxide catalysts (Graduate School, Kyoto Institute of Technology1,Mitsubishi Chemical Corporation2) *Nao Kondo1, Kazumasa Murata2, Keita Arai1, Ryo Manabe2, Saburo Hosokawa1, Takashi Yumura1 |
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13:30-15:05
| 3P096 | Development of a coarse-grained model for structural analysis of active species aggregates in olefin polymerization catalysts (Graduate School of Informatics, Nagoya University) *Kentaro Matsumoto |
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13:30-15:05
| 3P097 | Scaled Schrodinger equation theory combined with SAC-CI and electrostatic force theories: Photochemistry of interstellar molecules (Quantum Chemistry Research Institute) *Hiroyuki Nakashima, Hiroshi Nakatsuji |
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13:30-15:05
| 3P098 | Analysis of relativistic effects by using the difference of density matrices (RIST) *Daisuke Yamaki |
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13:30-15:05
| 3P099 | Calculation of XANES spectra of UO22+ molecules based on the highly accurate relativistic CASPT2 method (Grad.Sch.Adv.Sci.Eng., Hiroshima Univ.1,Applied Physics & Chemical Engineering TUAT2) *Taichi Inoue1, Minori Abe2 |
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13:30-15:05
| 3P100 | H/D Isotope Effect on 31P NMR Chemical Shifts in the FcPMe Dimer (Gifu Univ.1,Yokohama City Univ.2) *Soma Nishiyama1, Masanori Tachikawa2, Taro Udagawa1 |
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13:30-15:05
| 3P101 | A Theoretical Study of Base-Catalyzed Cracking of Saturated Hydrocarbons Using an Extended Virtual pKa Method (Graduate School of Chemical Science and Engineering, Hokkaido Univ.1,JST-ERATO2,WPI-ICReDD3,Faculty of Science, Hokkaido Univ.4) *Seiya Suzuki1, Yu Harabuchi2,3, Wataru Matsuoka2,3,4, Nobuya Tsuji3, Satoshi Maeda2,3,4 |
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13:30-15:05
| 3P102 | Semiclassical Detection of Caustics and Tunneling Pathways in the Photodissociation of Ammonia (Graduate School of Science and Technology, Sophia Univ.1,Department of Materials and Life Sciences, Sophia University2) *Koki Takumyo1, Keitaro Nagai1, Shinkoh Nanbu2 |
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