Saturday, September 21 (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
- 4P001~4P018
- Poster presentations by high school students
[Gas phase]
13:30-15:05
| 4P019 | Photoelectron circular dichroism of methyloxirane in intense laser fields studied by electron-ion coincidence momentum imaging (Graduate School of Science, Nagoya Univ.1,RCMS, Nagoya Univ.2) *Runa Kuroda1, Tomohide Uchida1, Koya Nishimura1, Akitaka Matsuda1, Akiyoshi Hishikawa1,2 |
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13:30-15:05
| 4P020 | Time-Evolution Measurements of Plasma-Generated Particles in Deep Oscillation Magnetron Sputtering (Faculty of Engineering, Tokyo Polytechnic University1,Ayabo Corporation2,Toyota Physical and Chemical Research Institute3,Graduate School of Science, Tohoku University4) *Masaomi Sanekata1, Eisuke Yokoyama1, Yuki Nakagawa1, Hiroki Kobayashi1, Nobuo Nishimiya1, Masahide Tona2, Hiroaki Yamamoto2, Keizo Tsukamoto2, Kiyokazu Fuke3, Keijiro Ohshimo4, Fuminori Misaizu4 |
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13:30-15:05
| 4P021 | Development of the optical cavity for observation of gas-phase vibrational polaritons (Graduate School of Integrated Science and Technology, Shizuoka University1,Department of Chemistry, Faculty of Science, Shizuoka University2) *Yuma Oyaide1, Taiki Furukawa1, Eiyu Mitsukawa1, Yoshiteru Matsumoto2 |
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13:30-15:05
| 4P022 | Real-time imaging of vibrational and rotational wave packets in van der Waals dimers containing methane (School of Science, Kitasato Univ.1,School of Science, Tokyo Tech.2,RIKEN3) *Momo Nakayama1, Kenta Mizuse1,2, Kiminori Ushida1,3, Kenji Sueyoshi1, Yasuhiro Ohshima2 |
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13:30-15:05
| 4P023 | Cold ion trap infrared spectroscopy of hydrated clusters of protonated benzocaine -Temperature dependence of proton transfer mechanism- (Sch. Sci., Tokyo Tech.1,TU Berlin2,RDI, Chuo Univ.3,Lab. Chem. Life Sci., Tokyo Tech.4) *Miyu Yamada1, Shotaro Yoshikawa1, Keisuke Hirata1, Otto Dopfe2, Masaaki Fujii3,4, Shun-ichi Ishiuchi1 |
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13:30-15:05
| 4P024 | Intermolecular interaction energies of CH3CN-BF3 and related complexes (Iwate Univ.) *Eiichi Suzuki, Ryota Okazaki, Hitoshi Yashiro |
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13:30-15:05
| 4P025 | Development of an apparatus to study stereodynamics in electron-molecule collision (IMRAM, Tohoku University, Japan1,Department of chemistry, Graduate school of science, Tohoku University, Japan2) *Takuma Sugai1, Yuta Suzuki1, Yukiyoshi Ohtsuki2, Yuuki Onitsuka1, Masahiko Takahashi1 |
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13:30-15:05
| 4P026 | Gas-phase spectroscopy of chemical intermediates in photoallylation reactions of cyano-substituted aromatic molecules: structural determination of final products and correlation with intermediates (Faculty of Science, Hiroshima Univ.1,Graduate School of Advanced Science and Engineering, Hiroshima Univ.2) Go Nagamoto1, Amiru Ohata1, Satoru Muramatsu2, Manabu Abe2, *Yoshiya Inokuchi2 |
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13:30-15:05
| 4P027 | Final state distribution of photodissociation products of N,N-dimethyformamide at 213 nm (Grad. Sch. Adv. Sci. Eng., Hiroshima Univ.) *Momiji Karino, Ryo Shinohara, Kosuke Inoue, Katsuyoshi Yamasaki, Hiroshi Kohguchi |
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13:30-15:05
| 4P028 | Infrared spectroscopy of [H2O-N2O]+-(H2O)n (n=1 and 2): Microsolvation effects on the hemibond (Graduate School of Science, Tohoku Univ.) *Tatsuki Hosoda, Mizuhiro Kominato, Asuka Fujii |
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13:30-15:05
| 4P029 | Theoretical analysis of reaction mechanism on photoisomerization of benzene oxide (Graduate School of Science and Technology, Sophia Univ.1,Faculty of Science and Technology, Sophia Univ.2) *Shirui Cui1, Shinkoh Nanbu2 |
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13:30-15:05
| 4P030 | Torsional wave-packet dynamics of biphenyl in its electronic ground state (School of Science, Tokyo Tech.) *Junya Hattori, Masaaki Nakamura, Yasuhiro Ohshima |
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13:30-15:05
| 4P031 | IR Absorption Spectra of Benzonitrile Ions in Solid Neon (NSRRC1,DAC, NYCU2) *Yu-jong Wu1,2, Wen-jian Huang1, Sheng-lung Chou1, Shu-yu Lin2 |
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[Clusters]
13:30-15:05
| 4P032 | Metal atom and size dependence on electrical conductivity of metal-encapsulated silicon cage hyperatomic aggregates (Faculty of science and technology, Keio Univ.) *Kanata Nakamura, Takaho Yokoyama, Tsugunosuke Masubuchi, Atsushi Nakajima |
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13:30-15:05
| 4P033 | Nanoplasma formation and expansion induced by XUV FEL studied by time-resolved electron spectroscopy (Department of Physics, Kyoto University1,Graduate School of Humanities and Social Sciences, Hiroshima University2,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University3,$RIKEN SPring-8 Cente4,JASRI5,Graduate School of Advanced Science and Engineering, Hiroshima University6,Department of Physics, Kumamoto University7,Department of Chemistry, Tohoku University8) *Akinobu Niozu1,2, Hironobu Fukuzawa3,4, Toru Hagiya1, Akifumi Yamamoto1, Daehyun You3, Saito Shu3, Yudai Ishimura3, Tadashi Togashi4,5, Shigeki Owada4,5, Kensuke Tono4,5, Makina Yabashi4,5, Shin-ichi Wada6, Kazuhiro Matsuda1,7, Kiyoshi Ueda8, Kiyonobu Nagaya1,4 |
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13:30-15:05
| 4P034 | Angular momentum projection analysis for superatomic orbitals formed in metallic cluster anions (Faculty of Science, Kyushu University) *Yuta Suzuki, Akira Terasaki, Takuya Horio |
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13:30-15:05
| 4P035 | Investigation of conditions for incorporation of liquid cyclic hydrocarbons into crystalline sponge nanopores based on crystallographic requirements (Kagawa Pharm. Sci. Tokushima Bunri Univ.) *Kazuaki Ohara, Minsuk Seo, Kentaro Yamaguchi |
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13:30-15:05
| 4P036 | Temperature dependence of the reactions between ConCO+ clusters and hydrogen in the gas phase (Sch. Arts & Sci., Univ. Tokyo) *Xirui Deng, Masato Yamaguchi, Toshiaki Nagata, Ken Miyajima, Fumitaka Mafune |
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13:30-15:05
| 4P037 | [Withdraw] |
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13:30-15:05
| 4P038 | Mechanism of multiorder stimulated Raman scattering light generation in CCl4 single and colliding droplets (Grad. Sci. of Sch. Gakushuin Univ.) *Ruiji Kataoka, Jun-ya Kohno |
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13:30-15:05
| 4P039 | Desorption processes of hydrogen from platinum hydride clusters studied by gas-phase thermal desorption spectrometry (Grad. Sch. of Arts & Sci., The Univ. of Tokyo) *Guangxuan Yang, Masato Yamaguchi, Toshiaki Nagata, Ken Miyajima, Fumitaka Mafuné |
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13:30-15:05
| 4P040 | Exploration of geomitric structures of copper cluster cations by UV-VIS photodissociationspectroscopy (Graduate School of Science, Kyushu Univ.) *Ukyo Kawamura, Yuna Aomuna, Miho Hirakawa, Takefumi Handa, Lushchikova Olga v, Masashi Arakawa, Takuya Horio, Akira Terasaki |
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13:30-15:05
| 4P041 | Driving Force-Dependent Hot Electron Transfer in Hybrid Systems of Cadmium Chalcogenide Quantum Dots and Acceptor Molecules (Graduate School of Science of Technology, Kwansei Gakuin University) *Takuma Yamamura, Daichi Eguchi, Naoto Tamai |
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13:30-15:05
| 4P042 | Comprehensive analysis of self-assembly process of a caged dinuclear palladium complex by theoretical calculation (Graduate School of Engineering, Kyoto University1,Graduate School of NanobioScience, Yokohama City University2,Graduate School of Arts and Sciences, The University of Tokyo3,Graduate School of Informatics, Nagoya University4,Fukui Institute for Fundamental Chemistry5) *Yudai Ichikawa1, Yui Sakuma2, Kanami Sugiyama1, Satoshi Takahashi3, Tomomi Shimazaki2, Masahiro Higashi4, Shuichi Hiraoka3, Hirofumi Sato1,5, Masanori Tachikawa2 |
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[Solid phase]
13:30-15:05
| 4P043 | Conduction behavior changes of Dirac electron systems related materials under irradiation (Graduate School of Sci. and Eng., Ehime Univ.) *Koki Funatsu, Ryuhei Oka, Kensuke Konishi, Toshio Naito |
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13:30-15:05
| 4P044 | Crystal structures and physical properties of charge transfer complexes composed of N-alkylquinolinium and TCNQ-based acceptor molecules (Grad. Sch. Sci., Kyoto Univ.1,AHSE, Kyoto Univ.2) *Takuhiro Sawada1, Manabu Ishikawa1, Akihiro Otsuka1,2, Yoshoaki Nakano1,2 |
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13:30-15:05
| 4P045 | Structures and physical properties of molecular conductors based on chiral DMBEDT-STF donors (Graduate School of Science and Engineering, Ehime University1,Research Unit for Materials Development for Efficient Utilization and Storage of Energy, Ehime University2) *Ryoya Naito1, Masahiro Fujisaki1,2, Takashi Shirahata1,2, Yohji Misaki1,2 |
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13:30-15:05
| 4P046 | Crystal structures and physical properties of TCNQ-based radical anion salts with N-alkylisoquinolinium cations (Grad. Sch. Sci., Kyoto Univ.1,AHSE, Kyoto Univ.2) *Tomohiro Kohama1, Reo Masuda1, Manabu Ishikawa1, Yoshiaki Nakano1,2, Akihiro Otsuka1,2 |
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13:30-15:05
| 4P047 | Structure and electrical properties of halide solid solutions of hydrogen-bonded chain structure dabcoH･X (Graduate School of Sciences and Technology for Innovation, Yamaguchi University, Japan1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Japan2) *Yuki Ohishi1, Atsuko Masuya-suzuki1, Shun Dekura2, Tomoyuki Akutagawa2, Ryo Tsunashima1 |
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13:30-15:05
| 4P048 | Preparation, Structures, Physical Properties of Imidazole-fused Tetraphenylene Derivative (Graduate School of Engineering, Tohoku University1,IMRAM, Tohoku University2,Faculty of Science, Shinshu University3) *Mu Li1, Takashi Takeda3, Shun Dekura1,2, Tetsu Sato1,2, Tomoyuki Akutagawa1,2 |
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13:30-15:05
| 4P049 | Differences of Physical Properties between Solvent-dependent Molecular Assembly Structures of Alkylamide-substituted Hexadehydrotribenzo[12]annulene Derivative (Graduate School of Engineering, Tohoku Univ.1,IMRAM, Tohoku University2,Faculty of Science, Shinshu Univ.3,NIMS4,Graduate School of Engineering Science, Osaka Univ.5) *Yotaro Kasahara1, Takashi Takeda1,2,3, Shun Dekura1,2, Atsuro Takai4, Hayato Anetai4, Ichiro Hisaki5, Takeuchi Masayuki4, Tomoyuki Akutagawa1,2 |
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13:30-15:05
| 4P050 | Theoretical studies on axial ligand and supporting protein effects in iron-oxo porphyrin complex in P450 enzyme. (Osaka Univ.1,RIKEN R-CCS2,Univ. Tsukuba3) *Mizuki Otsuka1, Takashi Kawakami1,2, Koichi Miyagawa3, Shusuke Yamanaka1, Mitsutaka Okumura1, Kizashi Yamaguchi2 |
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13:30-15:05
| 4P051 | Stress induced changes in the reaction cavity and control of photoisomerization of the spiropyran salts (Graduate School of Engineering, Sanyo-Onoda City Univ.1,Faculty of Engineering, Sanyo-Onoda City Univ.2,National Institute of Technology, Wakayama College.3) *Ikki Tokuhisa1, Yurika Ito2, Nobutsugu Hamamoto2, Makoto Inokuchi1,2, Yusuke Funasako3 |
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13:30-15:05
| 4P052 | Cation dependence of guest-induced superionic conductivity in divalent-ion-containing metal–organic frameworks (Graduate School of Science, Tokyo University of Science) *Kaori Taniguchi, Masaaki Sadakiyo |
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13:30-15:05
| 4P053 | Innovations at the Nanoscale: Synthesizing Intricately Designed Nanocluster-based Metal-Organic Frameworks for Enhanced Stability and Functional Applications (Graduate School of Science, Tokyo University of Science1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University2) *Jin Sakai1, Riki Nakatani1, Rina Tomioka1, Ayumu Kondo1, Tokuhisa Kawawaki1, Saikat Das1, Yuichi Negishi1,2 |
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13:30-15:05
| 4P054 | Synthesis and physical property of MIL-101 analogs including magnesium salts (Graduate School of Science, Tokyo University of Science) *Ayaka Usui, Masaaki Sadakiyo |
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13:30-15:05
| 4P055 | Development of Transparent Emitter with Proton-Responsive Heteroleptic Dinuclear Copper(I) Complex and Its Proton-Conducting Properties (College of Humanities and Sciences, Nihon Univ.) *Naoki Takaishi, Chihiro Shibuya, Hajime Kamebuchi, Biao Zhou |
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13:30-15:05
| 4P056 | Development of novel spin-polarized transport phenomenon in electrochemically intercalated hybrid materials with chiral ionic liquid (Dept. Chem., School of Sci., Tokyo Tech.) *Taishi Yamada, Po-jung Huang, Kouji Taniguchi |
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13:30-15:05
| 4P057 | Room-temperature superionic conductivity of a metal–organic framework including tetravalent ions in the pores (Graduate School of Science, Tokyo University of Science) *Mitsuki Kabaya, Masaaki Sadakiyo |
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13:30-15:05
| 4P058 | Synthesis of the polyoxometalate with cyclic ethers unit including phenanthroline (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,International Institute for SKCM2 Hiroshima.Univ.2,CResCent, Hiroshima.Univ.3,PRESTO, JST4) *Fuga Onishi1, Hiroto Kaitori1, Jun Manabe1, Chisato Kato1, Katsuya Inoue1,2,3, Sadafumi Nishihara1,2,4 |
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[Surface]
13:30-15:05
| 4P059 | Photoemission electron microscopy of redox-active electrodes by emersion method (Faculty of Engineering, Univ. of Tokyo1,RIKEN2,LASTI Univ. of Hyogo3,JASRI4) *Takahide Miyamoto1,2, Yasuyuki Yokota2, Takuo Ohkochi2,3,4, Yousoo Kim1,2 |
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13:30-15:05
| 4P060 | Theoretical analysis of CO and CO2 reduction reaction mechanism on Cu modified TiO2 (Grad Sch Adv Sci Eng, Hiroshima Univ.1,IMSC, Kyushu Univ.2) *Masato Fukushima1, David samuel Rivera rocabado1, Akihiko Anzai2, Miho Yamauchi2, Takayoshi Ishimoto1 |
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13:30-15:05
| 4P061 | Interface electronic structure of zinc phthalocyanine thin films grown on Au(111) (Grad, Saga Univ.1,SL Center, Saga Univ.2) *Naoki Matsufuji1, Isamu Yamamoto2, Junpei Azuma2, Masaki Imamura2, Kazutoshi Takahashi2 |
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13:30-15:05
| 4P062 | Application of a glass-insulated Au deposited carbon electrode probe for tip-enhanced Raman spectroscopy (RIKEN1,JST PRESTO2,School of Engineering, Nagoya Univ.3,WPI NanoLSI, Kanazawa Univ.4,Faculty of Engineering, Univ. Tokyo5) *Yuzu Kobayashi1,2, Yasuyuki Yokota1, Yasufumi Takahashi3,4, Yousoo Kim1,5 |
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13:30-15:05
| 4P063 | NH3-SCR mechanism in Cu-CHA: a theoretical study with automated reaction path search (Graduate School of Engineering, Kyoto University1,Graduate School of Informatics, Nagoya University2,Fukui Institute for Fundamental Chemistry, Kyoto University3) *Ryusei Morimoto1, Kanami Sugiyama1, Masahiro Higashi2, Hirofumi Sato1,3 |
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13:30-15:05
| 4P064 | Adsorption structure of pentacene derivative on Ag surface and development toward tip-enhanced Raman spectroscopy (Graduate School of Science, Univ. of Hyogo) *Norihiro Aiga, Takenori Nagasawa, Satoshi Takeuchi |
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13:30-15:05
| 4P065 | Alignment process of liquid crystal molecules on rubbed polyimide thin films (Graduate School of Engineering, Chiba Univ.) *Ryo Nakano, Hidekazu Horikawa, Toyo kazu Yamada, Takayuki Miyamae |
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[Liquid phase]
13:30-15:05
| 4P066 | Substituent effect on photoisomerization of N,N’-diacylindigo (Graduate School of Life Sciences, Ritsumeikan Univ.1,Faculty of Environmental Engineering, The University of Kitakyushu2) *Takayuki Murai1, Yuki Shimizu1, Sora Ishikawa1, Reona Yoshida1, Yu Matsunaka1, Yugo Isawa1, Takahiro Teramoto2, Risa Kojima1, Yutaka Nagasawa1 |
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13:30-15:05
| 4P067 | Development and application of sub-10-fs time-resolved absorption spectroscopy in the near-infrared region (Research Center of Integrative Molecular Systems, Institute for Molecular Science1,SOKENDAI2) *Keisuke Ochiai1,2, Yusuke Yoneda1,2, Hikaru Kuramochi1,2 |
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13:30-15:05
| 4P068 | Transient vibrational spectral analysis of [2.2]paracyclophane in solution by picosecond time-resolved infrared absorption anisotropy spectroscopy and quantum chemical calculation (Coll. of Sci & Eng., Aoyama Gakuin Univ.1,HPC Systems Inc.2) *Rintaro Shimada1, Rio Kawabe1, Kazuhiko Furuya2, Akira Sakamoto1 |
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13:30-15:05
| 4P069 | Specific roles of cation and anion on the excited-state proton transfer reaction of 6-hydroxyquinoline in protic ionic liquids (Graduate School of Science and Engineering, Doshisha Univ.1,Faculty School of Science and Engineering, Doshisha Univ.2,National Institute of Advanced Science and Technology3) *Kakeru Ise1, Chihiro Matsumura1, Kaori Fujii3, Takatsugu Endo1,2, Yoshifumi Kimura1,2 |
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13:30-15:05
| 4P070 | Hydrogen-bonding energy of Pyrrole-2,6-Dimethylpyridine hydrogen-bonding complex in carbon tetrachloride solvent (BC-Gr., NIT, Kumamoto College.) *Yoshisuke Futami |
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13:30-15:05
| 4P071 | Hydrogen bond structure in liquid water studied by isotope shifts in decomposed Raman spectra (Graduate school of Science & Engineering, Chuo Univ.) *Yu Sato, Hajime Okajima |
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13:30-15:05
| 4P072 | Photochemical properties of azafluoranthene derivatives (College of Science and Engineering, Aoyama Gakuin University1,Faculty of Materials and Energy, Shimane University2) *Nao Yajima1, Tomoka Yoshikawa1, Wataru Kashihara1, Takahiro Sawano2, Ryo Takeuchi1, Tadashi Suzuki1 |
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[Biomolecules]
13:30-15:05
| 4P073 | Time-resolved infrared spectroscopic study of an inward Cl- pumping rhodopsin converted from an outward Na+ pumping rhodopsin. (Graduate School of Engineering, NITech1,OptoBioTechnology Research Center, NITech2) *Masahiro Yamamoto1, Hideki Kandori1,2, Yuji Furutani1,2 |
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13:30-15:05
| 4P074 | Chromophore structure of the Gloeobacter rhodopsin–canthaxanthin complex studied by resonance Raman spectroscopy (Graduate School of Science, Osaka Univ.) *Mizuki Kawano, Taito Urui, Yasuhisa Mizutani |
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13:30-15:05
| 4P075 | Raman imaging analyses of the intracellular environment during ferroptosis, an iron-dependent cell death. (Faculty of Pharmaceutical Sciences, Tohoku Univ1,Graduate School of Pharmaceutical Sciences, Tohoku Univ2) *Ryota Dobashi1, Masato Machida2, Shinji Kajimoto2,1, Takakazu Nakabayashi2,1 |
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13:30-15:05
| 4P076 | Theoretical study on enzymatic reaction mechanism of cellulose using quantum molecular dynamics simulations (School of Advanced Science and Engineering, Waseda Univ.1,WISE, Waseda Univ.2) *Takuya Hashimoto1, Hiromi Nakai1,2 |
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13:30-15:05
| 4P077 | Lipid order of substrate-supported phospholipid multilayers by linearly polarized soft x-ray absorption spectroscopy (Graduate School of Advanced Science and Engineering, Hiroshima University1,Research Institute for Synchrotron Radiation Science, Hiroshima University2) *Yuri Oura1, Masataka Tabuse1, Kakuto Yoshioka1, Shogo Tendo1, Shin-ichi Wada1,2 |
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13:30-15:05
| 4P078 | Comparison and Generalization of the Effect of the 145th Amino Acid on the Fluorescence Lifetime of Green Fluorescent Protein eGFP and Yellow Fluorescent Protein eYFP (Graduate School of Science, Toho Univ.) Yuna Kinoshita, Mamoru Shigeno, *Haruko Hosoi |
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13:30-15:05
| 4P079 | Nonlinear spectroscopic imaging for understanding the symbiotic relationship between plants and mycorrhizal fungi (Graduate School of Science and Technology, Kwansei Gakuin Univ.1,Faculty of Life and Environmental Sciences, Univ. of Tsukuba2,RIKEN BRC3) *Amu Sofue1, Norio Takeshita2, Yasunori Ichihashi3, Shigeto Shinsuke1 |
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13:30-15:05
| 4P080 | Energy Transfer Dynamics of Biohybrid LH2 with Fluorescent Dyes Introduced near the C-terminal (Grad. Sch. of Life Sciences, Ritsumeikan Univ.1,Grad. Sch. of Engineering, Nagoya Institute of Technology2,Institute for Molecular Science3) *Sora Ishikawa1, Reona Yoshida1, Takayuki Murai1, Yu Matsunaka1, Ryoga Morishita2, Yusuke Yoneda3, Masaharu Kondo2, Takehisa Dewa2, Risa Kojima1, Yutaka Nagasawa1 |
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[Theory]
13:30-15:05
| 4P081 | Two photon excitation dynamics by semiclassical molecular dynamics : Extension of electron force field (eFF) and its verification (National Defense Academy of Japan) *Atsushi Yamada |
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13:30-15:05
| 4P082 | Intermolecular interaction of nucleobase pairs and mechanism of tautomeric reaction: constrained nuclear-electronic orbital study (Graduate School of Science and Engineering, Chuo Univ.1,Faculty of Science and Engineering, Chuo Univ.2) *Kohei Motoki1, Hirotoshi Mori2 |
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13:30-15:05
| 4P083 | Reaction mechanism analysis of sulfite reduction by dinuclear ruthenium complex based on DFT calculation (IMCE, Kyushu Univ.1,Fukui Institute for Fundamental Chemistry, Kyoto Univ.2,Graduate School of Engineering, Nagasaki Univ.3) *Yusuke Tsuruta1, Taiji Nakamura2, Motoki Yamada3, Yasuhiro Arikawa3, Yoshihito Shiota1 |
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13:30-15:05
| 4P084 | Development of a quantum power iteration algorithm based on the block-encoding (PItBE) (Graduate School of Science, Kyoto Univ.) *Reo Baba, Yuki Kurashige |
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13:30-15:05
| 4P085 | Polymer Design for Aliphatic Polyamide based on Photolysis and thermal degradation mechanisms (Kyushu Univ.) *Jingcheng Sang, Yuuichi Orimoto, Yuriko Aoki |
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13:30-15:05
| 4P086 | Analysis of intramolecular energy propagation induced by optical near-field local excitation using electron dynamics simulation (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Graduate School of Science, Kyoto Univ.2,Faculty of Science, Hokkaido Univ.3,WPI-ICReDD, Hokkaido Univ.4,PRESTO, Japan Science and Technology Agency5) *Daisuke Nishizawa1, Risa Amano2, Takeshi Iwasa3,4,5, Tetsuya Taketsugu3,4 |
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13:30-15:05
| 4P087 | Molecular dynamics simulation and instantaneous normal mode analysis of intermolecular vibrational motions of water at the water-air interface (Graduate School of Sci. Tech., Keio Univ.1,IMS2) *Masaki Kondo1, Taichi Inagaki1, Miho Hatanaka1,2 |
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13:30-15:05
| 4P088 | Excitation energy gradients on excited state calculation using dynamical polarizability (Graduate School of Advanced Science and Engineering, Waseda Univ.1,Faculty of Pharmaceutical Sciences, Toho Univ.2,WISE, Waseda Univ.3) *Ryusei Nishimura1, Takeshi Yoshikawa2,3, Ken Sakata2, Hiromi Nakai1,3 |
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13:30-15:05
| 4P089 | Polymer design by elongation method: multi-scale approach and machine learning cooperation (Kyushu Univ.) *Yuuichi Orimoto, Hiromu Kobayashi, Yuriko Aoki |
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13:30-15:05
| 4P090 | Exploration of reaction pathways using virtual pKa method: theoretical analysis of n-butane protonation reaction (Graduate School of Chemical Science and Engineering, Hokkaido Univ.1,JST-ERATO2,WPI-ICReDD3,Graduate School 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
| 4P091 | Quantitative determination of disodium 5′-inosinate with metal ions and analysis of peak wavelength change by quantum chemical calculation (Nagasakinishi High School1,Graduate School of Integrated Science and Technology, Nagasaki University,2,Faculty of Regional Studies, Gifu University3,None4) *Tomoaki Sako1, Shinnosuke Morisaki1, Ryusei Hayashi1, Yoshinobu Gondoh1, Daisuke Noguchi2, Tomohiro Hashimoto3, Suehiro Iwata4 |
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13:30-15:05
| 4P092 | Development of a coarse-grained model to reproduce self-assembly of rosette-forming barbiturates (Graduate School of Science, OMU1,RIMED, OMU2) *Kentaro Takagaki1, Yuki Mitsuta1,2, Toshio Asada1,2 |
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13:30-15:05
| 4P093 | Development and implementation of a computation algorithm of difference spectra based on free energy calculation (Graduate School of Science, Tohoku Univ.) *Koyo Suzuki, Tomonori Hirano, Akihiro Morita |
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13:30-15:05
| 4P094 | Theoretical study on reactivity of molybdenum-oxo complexes (Fukui Institute for Fundamental Chemistry, Kyoto Univ.1,School of Engineering, The University of Tokyo2) *Taiji Nakamura1, Shun Suginome2, Yoshikatsu Kameda2, Yoshiaki Nishibayashi2, Kazunari Yoshizawa1 |
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13:30-15:05
| 4P095 | Development of a novel elemental substitution identification method for multi-site substitution by unsupervised machine learning (Nara Institute of Science and Technology1,DSC, Nara Institute of Science and Technology2,CMP, Nara Institute of Science and Technology3) *Kazuki Yoshitake1, Shogo Takasuka1, Yosuke Harashima1,2, Tomoaki Takayama1,2, Mikiya Fujii1,2,3 |
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13:30-15:05
| 4P096 | A theoretical study on the dissolution mechanism of engineering plastics using all-atom molecular dynamics simulations (Daicel Corporation) *Fumiya Suzue, Senri Tanaka, Masashi Iwayama |
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13:30-15:05
| 4P097 | Collisional branching dynamics in interstellar H3+ + HNCO (Graduate School of Science and Engineering, Saitama Univ.1,Faculty of Science and Technology, Sophia Univ.2) *Shoto Nakagawa1, Haruki Ota1, Tatsuhiro Murakami1,2, Toshiyuki Takayanagi1 |
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13:30-15:05
| 4P098 | Interpretation of electron density derivatives with respect to nuclear coordinates using the Le Chatelier principle (Keio Univ) *Satoshi Yabushita |
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13:30-15:05
| 4P099 | Study on reaction mechanisms for organic photosynthesis catalysts (Advanced Technology Research Lab. Nippon Steel Corporation1,Graduate School of Engineering Science, Osaka Univ.2) *Yoichi Matsuzaki1, Yoshihiro Nishiyama2, Yasutaka Kitagawa2, Kazuaki Seki1, Yasuhiro Shiraishi2, Takayuki Hirai2 |
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13:30-15:05
| 4P100 | Molecular design of N3 derivatives as inhibitors of SARS-CoV-2 Mpro using free energy decomposition analysis (Graduate School of Science, OMU1,RIMED, OMU2) *Ryota Ozawa1, Yuki Mitsuta1,2, Toshio Asada1,2 |
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13:30-15:05
| 4P101 | Theoretical Study of the "Noble Gas Effect" in Noble Gas-3d Transition Metal Monocarbonyl Compounds (Sch. Sci., Hokkaido Univ.1,Grad. Sch. Chem. Sci. Eng., Hokkaido Univ.2,Fac. Sci., Hokkaido Univ.3,WPI-ICReDD, Hokkaido Univ.4) *Akane Yano1, Ryuto Kambara2, Takuro Tsutsumi3, Yuriko Ono4, Tetsuya Taketsugu3,4 |
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13:30-15:05
| 4P102 | Improvement of the calculation method for X-ray Absorption and Emission Spectroscopy based on Slater's transition state theory (Graduate School of Advanced Science and Engineering, Hiroshima Univ.) *Yuika Watari, Osamu Takahashi |
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13:30-15:05
| 4P103 | Free-energy analysis of the cosolvent effects on the amorphous aggregation through molecular dynamics simulation (Graduate School of Engineering Science, Osaka Univ.) *Yudai Tagawa, Matubayasi Nobuyuki, Kasahara Kento |
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13:30-15:05
| 4P104 | Theoretical study on design guide of latent cure accelerators for curing reaction of phenol-epoxy thermosetting resins (Graduate School of Science and Technology for Innovation, Yamaguchi University) *Ryusei Ohtani, Ryusuke Mitani, Michinori Sumimoto, Hidetoshi Yamamoto |
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13:30-15:05
| 4P105 | Simulation of post-ionization population transfer in CO2+ in an intense laser field (Department of Chemistry, School of Science, The University of Tokyo1,Institute for Attosecond Laser Facility, The University of Tokyo2) *Siwei Huang1, Erik Lötstedt1, Kaoru Yamanouchi1,2 |
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13:30-15:05
| 4P106 | Insights into the denaturation process of SOD1: Changes in residue interactions associated with dissociation of Cu and Zn ions (Graduate School of Engineering, Chiba Tech1,Graduate School of Pharmaceutical Sciences, Tohoku Univ.2) *Kento Takeuchi1, Shinya Tahara2, Takakazu Nakabayashi2, Norifumi Yamamoto1 |
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13:30-15:05
| 4P107 | Investigating the Role of Substituents on Ni-Diphosphine Catalysts for Hydrogen Production: A Theoretical Study (Institute for Catalysis, Hokkaido University1,Graduate School of Engineering, The University of Tokyo2,Department of Chemistry, Faculty of Science, Ubon Ratchathani University3) *Sarinya Hadsadee1, Manussada Ratanasak1, Akira Nakayama2, Siriporn Jungsuttiwong3, Jun-ya Hasegawa1 |
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13:30-15:05
| 4P108 | A theoretical study on phase space structures of a real chemical reaction dynamics (Grad. School. Chem. Sci. Eng., Hokkaido Univ.1,Res. Inst. Elec. Sci., Hokkaido Univ.2,Fac. Sci., Hokkaido Univ.3,WPI-ICReDD, Hokkaido Univ.4,Grad. School. Info. Sci., Univ. Hyogo5) *Ryoichi Tanaka1, Yuta Mizuno2,4, Takuro Tsutsumi3, Mikito Toda5,2, Tetsuya Taketsugu3,4, Tamiki Komatsuzaki2,4 |
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