Tuesday, September 9 (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
| 1P001 | Development of a high-intensity cooled metastable excited atom beam source (Univ. Electro-Commun.) *Ryota Onozuka, Yoshihiro Yamakita |
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13:30-15:05
| 1P002 | Development of an electron momentum spectroscopy apparatus for the three-dimensional imaging of molecular orbitals (Graduate School of Engineering, Tohoku Univ.) *Akira Araki, Yuuki Onitsuka, Noboru Watanabe, Masahiko Takahashi |
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13:30-15:05
| 1P003 | Observation ion-molecular reactions under low energy conditions by multi-step control of electrostatic potential (Grad. Sch. Adv. Sci. Eng., Hiroshima Univ.) *Hinata Miyake, Taro Sakuda, Keigo Nakayama, Hiroshi Kohguchi |
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13:30-15:05
| 1P004 | Observation of inelastic CO+-e- scattering using electron recollision in intense laser fields: molecular orientation dependence (Grad. Sc. Sci., Nagoya Univ.1,U. Electro-Comm.2,RCMS, Nagoya Univ.3) *Kyoichiro Yasui1, Shunsuke Amaike1, Tatsuya Aso1, Daimu Ikeya1, Yushi Ishida2, Hiroka Hasegawa2, Toru Morishita2, Akiyoshi Hishikawa1,3 |
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13:30-15:05
| 1P005 | Soft X-ray high harmonic generation by an infrared laser and measurement of X-ray absorption near edge structures (QST KPSI) Nobuhisa Ishii, Momoko Maruyama, *Ryuji Itakura |
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13:30-15:05
| 1P006 | Vibrational wave packet construction through the use of microwave radiation for real-time observation of pyramidal inversion in ammonia molecules (Graduate School of Science, Institute of Science Tokyo) *Mellisa Ardelia, Kazuki Ueno, Ryouta Saida, Masaaki Nakamura, Yasuhiro Ohshima |
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13:30-15:05
| 1P007 | Vibrational Coherence of Pyrazine in Solution (Graduate School of Science, Kyoto Univ.1,Graduate School of Science and Engineering, Toyama Univ.2) Shutaro Karashima1, Tatsuya Ishiyama2, *Toshinori Suzuki1 |
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13:30-15:05
| 1P008 | Microwave spectrum of Aminoacetonitrile (Faculty of Science, Toho Univ.1,Faculty of Science, Toyama Univ.2) *Kazuki Matsushita1, Hiroyuki Ozeki1, Kaori Kobayashi2 |
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13:30-15:05
| 1P009 | Cold ion trap infrared spectroscopy of pseudouridine acetate complex - Mechanism of immunosuppression of mRNA vaccines (Department of Chemistry, School of Science, Institute of Science Tokyo1,Department of Chemistry, University of Washington2) *Jun-hao Yu1, Garrett d. Santis2, Keisuke Hirata1, Shun-ichi Ishiuchi1, Sotiris s. Xantheas2 |
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13:30-15:05
| 1P010 | Infrared spectroscopy of heptane-water cluster cation: alkyl chain length dependence of proton transfer reaction (Graduate School of Science, Tohoku University) *Jin Sakai, Kohei Chiba, Yoshiyuki Matsuda, Asuka Fujii |
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13:30-15:05
| 1P011 | Assignment of isomer structure and electronic transitions of solvated clusters of benzo[h]quinoline (Graduate School of Science, Fukuoka Univ.) *Ryoka Kimura, Rintaro Hiyama, Takeru Inoue, Yuji Yamada, Yoshinori Nibu |
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13:30-15:05
| 1P012 | Theoretical study of substituents effects on excited-state relaxation processes of pyrimidine bases (Grad. Sch. Chem. Sci. Eng., Hokkaido Univ.1,Fac. Sci., Hokkaido Univ.2,Grad. Sch. Nanobio., Yokohama City Univ.3,WPI-ICReDD, Hokkaido Univ.4) *Yuto Kobayashi1, Yusuke Minegishi1, Kenichiro Saita2,3, Tetsuya Taketsugu2,4 |
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[Clusters]
13:30-15:05
| 1P014 | MD/TD-DFT calculations for absorption spectra of aniline: Anomalies in solvatochromic shifts (Fac. Sci., Kyushu Univ.) *Kazuhiko Ohashi, Takumi Watanabe |
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13:30-15:05
| 1P015 | Kinetic energy distribution of Laser ablated carbon ions (Graduate School of Science and Engineering, Kindai University) *Yuya Ikeda, Keito Morimoto, Kanta Masuda, Tomonari Wakabayashi |
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13:30-15:05
| 1P016 | Exciton coherence dynamics in indole-fused zinc porphyrin-C60 fullerene system studied by time-resolved electron paramagnetic resonance (Graduate School of Science, Kobe Univ.1,Molecular Photoscience Research Center, Kobe Univ.2,Department of Chemistry, Univ. of North Texas3) *Hidetoshi Tanaka1, Masaaki Fuki2, Francis D’souza3, Hong Wang3, Yasuhiro Kobori2 |
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13:30-15:05
| 1P017 | Structural isomerization of phosphine-protected Au9 clusters induced by hybridization with niobium oxide clusters (Graduate School of Science, Tokyo Metropolitan Univ.1,Graduate School of Engineering, The Univ. of Tokyo2,Graduate School of Advanced Materials Science, The Univ. of Tokyo3) *Taishi Suzuki1, Hideyuki Kawasoko1, Soichi Kikkawa1, Tomoki Matsuyama1, Naoki Nakatani1, Kentaro Yonesato2, Kosuke Suzuki3, Kazuya Yamaguchi2, Seiji Yamazoe1 |
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13:30-15:05
| 1P018 | Emission of silicon quantum dots : surface effect vs quantum size effect (Graduate School of Science, Hiroshima Univ.1,N-BARD, Hiroshima Univ.2) Keisuke Toyohara1, *Yuito Oba1, Wang Li1, Saito Kenichi1,2 |
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13:30-15:05
| 1P019 | CO adsorption/desorption characteristics on single-sized Pt nanocluster electrocatalysts (Faculty of Science and Technology, Keio Univ.) *Taiki Inami, Kurinosuke Moriyama, Keisuke Iijima, Rise Nagaki, Tsugunosuke Masubuchi, Atsushi Nakajima |
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13:30-15:05
| 1P020 | Synthesis of hollow particles by gold substitution of silver nanocubes and characterization of chemical and optical properties (Graduate School of Science, Toho Univ.) *Hayato Watabe, Toshiki Sugai |
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13:30-15:05
| 1P021 | Domain adaptation analysis of a CNN for sequential deposition TEM images of size-selected nanoclusters (Ayabo Corporation1,Faculty of Science and Technology, Keio University2) *Toji Gifu1, Naoyuki Hirata1, Masahide Tona1, Keizo Tsukamoto1, Atsushi Nakajima2 |
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13:30-15:05
| 1P022 | Development of an ultra-high resolution ion trap ion mobility spectrometry using image processing and simulation (Graduate School of Science, Toho Univ) *Shinnosuke Kimura, Takato Washizu, Hyuga Takiguchi, Toshiki Sugai |
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[Solid phase]
13:30-15:05
| 1P023 | Boron-bridged bis(tetrathiafulvalene) neutral radical conductors with partially oxidized states :synthesis, structure, and physical properties of analogues with various substituents (Faculty of Advanced Science and Technology, Kumamoto University1,Graduate School of Engineering Science, The University of Osaka2,Graduate School of Science, The University of Osaka3) *Kai Shimasaki1, Megu Nakamura1, Keita Sonoda1, Shuichi Suzuki2, Hiroki Akutsu3, Yasuhiro Nakazawa3, Akira Ueda1 |
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13:30-15:05
| 1P024 | Thermal changes in crystal structure of 3,8-Bis(heptyloxy)[1]benzothieno[3,2-b][1]benzothiophene and transistor properties (Graduate School of Natural Science, Konan Univ.1,Depertment of Chemistry, Konan Univ.2) *Yuki Kobayashi1, Kosuke Katagiri2, Junji Watanabe2, Muneyuki Naito2, Shigeru Ikeda2, Atsushi Kimoto2, Tomofumi Kadoya2 |
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13:30-15:05
| 1P025 | Crystal structure and organic thin film transistors of ferrocene derivatives (Graduate School of Natural Science, Konan Univ.1,Department of Chemistry, Konan Univ.2) *Hiroki Sano1, Muneyuki Naito2, Kosuke Katagiri2, Shigeru Ikeda2, Atsushi Kimoto2, Tomofumi Kadoya2 |
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13:30-15:05
| 1P026 | Fabrication and evaluation of organic transistors using disubstituted ferrocene derivatives (Graduate School of Natural Science, Konan Univ.1,Department of Chemistry, Konan Univ.2) *Miyabi Shirakura1, Kosuke Katagiri2, Shigeru Ikeda2, Muneyuki Naito2, Atsushi Kimoto2, Tomofumi Kadoya2 |
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13:30-15:05
| 1P027 | Functionalization of a plastic crystal by doping of luminescent Pt(II) complexes (NanoMaRi, Kanazawa Univ.) *Yasuhiro Shigeta, Motohiro Mizuno |
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13:30-15:05
| 1P028 | In-crystal polymerization of α-Amino-ε-caprolactam introduced into Ni(dmit)2 crystal with supramolecular channel structures (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,IMRAM, Tohoku Univ.2,Graduate School, Kumamoto Univ.3,CResCent, Hiroshima Univ.4,PRESTO,JST5) *Kaya Oshima1, Masato Haneda1, Chisato Kato1, Jun Manabe1, Tomoyuki Akutagawa2, Kiyonori Takahashi3, Takayoshi Nakamura1, Sadafumi Nishihara1,4,5 |
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13:30-15:05
| 1P029 | Fabrication of oriented thin film of Zr-based metal–organic framework by vapor phase method (Department of Chemistry, The University of Tokyo1,Department of Materials Molecular Science, Institute for Molecular Science2) *Ryosuke Muro1, Taro Hitosugi1, Ryota Shimizu2, Ryo Nakayama1, Kazuki Iyanaga1 |
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13:30-15:05
| 1P030 | Distinction of electronic properties between different kinds of dirac electrons by alloying of organic dirac-electron-systems-related materials (Graduate School of Science and Engineering, Ehime Univ.1,GRC, Ehime Univ.2,E-USE, Ehime Univ.3) *Shoma Yamamoto1, Sakura Hiramoto1, Toshio Naito1,2,3 |
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13:30-15:05
| 1P031 | Development of a multiple excitation time-resolved photoluminescence microscope and application to real-space imaging of exciton-exciton annihilation (Graduate School of Engineering Science, Osaka University1,Institute for Molecular Science2) *Hidenori Yoneda1, Syoji Ito1, Hikaru Kuramochi1,2, Hikaru Sotome1 |
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13:30-15:05
| 1P032 | Synthesis and physical properties of molecular conductors based on tetrathiapentalene (TTP) derivatives with a 4-methylcyclohexene ring. (Graduate School of Science and Engineering, Ehime Univ.1,Research Unit for Materials Development for Efficient Utilization and Storage of Energy, Ehime Univ.2) *Kohshi Toyonaga1, Masahiro Fujisaki1,2, Ryoya Naito1, Takashi Shirahata1,2, Yohji Misaki1,2 |
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13:30-15:05
| 1P033 | Photochemical synthesis and characterization of polynuclear complexes from sandwich-type Ru complexes (Graduate School of Science, Kobe Univ.1,Research Center for Membrane and Film Technology2) *Haruka Koshino1, Tomoyuki Mochida1,2 |
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13:30-15:05
| 1P034 | Development of a low-temperature vibrational circular dichroism (VCD) spectrometer and its application to a [CrCo] dinuclear complex (Graduate School of Sci. and Eng. Aoyama Gakuin Univ.1,IMCE, Kyusyu Univ.2) *Imari Minamikawa1, Rintaro Shimada1, Osamu Sato2, Akira Sakamoto1 |
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13:30-15:05
| 1P035 | Thermal properties of onium salts with polycyano anions and their coordination polymer formation (Graduate School of Science, Kobe Univ.1,Research Center for Membrane and Film Technology2) *Yosuke Nakazono1, Ryota Inoue1, Kazuyuki Takahashi1, Tomoyuki Mochida1,2 |
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13:30-15:05
| 1P036 | Synthesis and Structural Determination of Supramolecular Cationic Crystals Composed of Protonated Pyridine and Diazine Derivatives (Graduate School of Science, University of Hyogo1,School of Science, University of Hyogo2,IMRAM, Tohoku University3,Graduate School of Advanced Science and Engineering, Hiroshima University4) *Kazuya Kubo1, Ibuki Yamazaki2, Takumi Morita2, Tomoyuki Akutagawa3, Takayoshi Nakamura4 |
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13:30-15:05
| 1P037 | Thermal transport properties in the long-lived excited states of an organic single crystal with a 2-dimensional hydrogen bonding network (MCT, Science Tokyo1,CLS, Science Tokyo2,ASMat, Science Tokyo3,AIST4,KEK5) *Rin Kageyama1,2, Ryosuke Takehara1,2,3, Takuma Shiga4, Meguya Ryu1, Junko Morikawa1,3, Reiji Kumai5, Takanori Fukushima1,2,3 |
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13:30-15:05
| 1P038 | Selective gas separation leveraging tailored two-dimensional covalent organic frameworks: from molecular design to function (Graduate School of Science, Tohoku Univ.1,Institute of Multdisciplinary Research for Advanced Materials, Tohoku Univ.2,School of Materials Science and Engineering, China Univ. of Petroleum3) *Mika Nozaki1, Tsukasa Irie2, Sasaki Kohki1, Tokuhisa Kawawaki2, Zixi Kang3, Saikat Das2, Yuichi Negishi2 |
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13:30-15:05
| 1P039 | Temperature dependence of the crystal structure of monosodium urate monohydrate. (Graduate School of Science and Technology for Innovation Yamaguchi Univ.) *Hiroto Tanaka, Ryo Tsunashima |
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[Surface]
13:30-15:05
| 1P040 | The light-molecule Hamiltonian towards coupling quantum chemical calculations and electromagnetic field calculations (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Graduate School of Sciences, Hokkaido Univ.2,WPI-ICReDD, Hokkaido Univ.3) *Risa Amano1, Tetsuya Taketsugu2,3, Takeshi Iwasa2,3 |
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13:30-15:05
| 1P041 | Stacking structure and charge transport properties of NTz-based non-fullerene organic solar cells (Graduate School of Science, Japan Women’s Univ.1,The institute of Scientific and Industrial Research, Osaka Univ.2) *Haruka Araragi1, Seihou Jinnai2, Yutaka Ie2, Azusa Muraoka1 |
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13:30-15:05
| 1P042 | Coupled State Between Benzene and the Far-Ultraviolet Near Field of Indium Nanoclusters (Department of Chemistry, Graduate School of Science, Kyoto University, Japan1,Faculty of Liberal Arts, The Open University of Japan, Japan2) *Kousuke Kawai1, Naoki Nagatsuka1, Takanori Koitaya1, Hiroshi Okuyama1, Kazuya Watanabe1, Tomokazu Yasuike2 |
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13:30-15:05
| 1P043 | HD-VSFG Study of Penetratin Interaction and Orientation with Lipid Monolayers at Air-Water Interface (Graduate School of Science and Technology, Tsukuba Univ.1,Division of Natural Sciences, Nara Women's Univ.2) *Ayaka Omuro1, Masato Kondoh2, Keisei Shibata1, Taka-aki Ishibashi1 |
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13:30-15:05
| 1P044 | Construction and post-surface modification of self-assembled monolayers using pyridyl-substituted triptycene tripod (MCT, Science Tokyo1,CLS, Science Tokyo2,ASMat, Science Tokyo3) *Aono Yamaguchi1,2, Ryosuke Takehara1,2,3, Yoshiaki Shoji1,2,3, Takanori Fukushima1,2,3 |
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13:30-15:05
| 1P045 | Circular polarized light ofπ-conjugated polymer films oriented by a SOFT method (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,N-BARD, Hiroshima Univ.2) *Daichi Sugimoto1, Temmaru Hirota1, Ken-ichi Saitow1,2 |
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13:30-15:05
| 1P046 | In situ measurement of the structure of nano-meter-sized vapor-deposited ice during growth (Graduate School of Arts and Sciences, The Univ. of Tokyo) *Kentaro Noguchi, Reo Sato, Hiroyuki Koshida, Atsuki Ishibashi, Tetsuya Hama |
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13:30-15:05
| 1P047 | Development of a vibrational spectroscopy system with the dip-pull method for solid-liquid interfaces (Graduate School of Science, Kyoto Univ.) *Momone Tanaka, Gen Azuma, Takanori Koitaya, Naoki Nagatsuka, Kazuya Watanabe |
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13:30-15:05
| 1P048 | Electronic transition by intermolecular interaction in adamantane in solution (Graduate School of Science and Engineering Kindai Univ.) *Tomoyuki Komoto, Yusuke Morisawa |
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[Liquid phase]
13:30-15:05
| 1P049 | Photo-induced fast bimolecular reactions of p-terphenyl derivatives and carbon tetrachloride - effect of substituents and their positions on the reaction rate (Graduate School of Science, Gakushuin Univ.) *Mao Tanaka, Shunrou Tokonami, Koichi Iwata |
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13:30-15:05
| 1P050 | Two-Color CW Excitation Induced Photothermal Signal Enhancement of Nitro-Polycyclic Aromatic Hydrocarbons (Interdisciplinary Graduate School of Engineering Sciences, Kyushu Univ) *Ryoki Tsukuda, Fumito Okamura, Miki Isoda, Akira Harata |
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13:30-15:05
| 1P051 | Hydration structure of DMSO revealed by soft X-ray absorption spectroscopy of the aqueous solution (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,Institute for Molecular Science2,School of Physical Sciences, The Graduate University for Advanced Studies (SOKENDAI)3) *Chika Sugahara1, Hiroshi Iwayama2,3, Kazumasa Okada1 |
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13:30-15:05
| 1P052 | Excited state dynamics of thienopyrimidine derivatives with pyridyl group (Graduate School of Science and Engineering, Aoyama Gakuin Univ.1,Osaka Inst. Tech.2) *Takuto Furuki1, Wataru Kashihara2, Tadashi Suzuki1 |
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13:30-15:05
| 1P053 | Intramolecular charge transfer of azafluoranthene derivatives (Graduate School of Science and Engineering, Aoyama Gakuin Univ.1,Osaka Inst. Tech.2,Faculty of Materials and Energy, Shimane Univ.3) *Nao Yajima1, Tomoka Yoshikawa1, Wataru Kashihara2, Takahiro Sawano3, Ryo Takeuchi1, Tadashi Suzuki1 |
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13:30-15:05
| 1P054 | Formation and uptake ability of cyclododecane-based micelles (Lab. for Chem. & Life Sci., Science Tokyo) *Hinako Iikawa, Hayate Sasafuchi, Michito Yoshizawa |
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13:30-15:05
| 1P055 | Study on the origin of the non-resonant background of polarization-resolved coherent anti-Stokes hyper-Raman scattering spectroscopy (Graduate School of Arts and Sciences) *Kazuki Inoue, Masanari Okuno |
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13:30-15:05
| 1P056 | Investigation of photoexcited electron transfer dynamics in diazaporphyrinoid systems by transient absorption spectroscopy (Graduate School of Science, Doshisha Univ.1,Graduate School of Natural, Niigata Univ.2,Science of Niigata Univ.3) *Rio Kitakado1, Akane Umemiya2, Yoshihiro Matano3, Yoshifumi Kimura1 |
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13:30-15:05
| 1P057 | Coherent nuclear wave-packet motion in E-pyrrole hemithioindigo with intramolecular hydrogen bonds (Graduate School of Life Sciences, Ritsumeikan Univ) *Keitatsu Okazaki, Reona Yoshida, Mei Komaki, Yutaka Nagasawa |
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13:30-15:05
| 1P058 | Photophysical dynamics of peri-naphthoindigo: Temperature and solvent dependence (Graduate School of Life Science, Ritsumeikan Univ.) *Hiroto Ikegami, Yuki Shimizu, Yugo Isawa, Reona Yoshida, Yutaka Nagasawa |
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13:30-15:05
| 1P059 | Dynamic Light Scattering (DLS) Measurements of diluted Whiskey using Colloidal Particles as Probes (CHS,Nihon Univ.) *Hisui Masumura, Ken Judai |
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13:30-15:05
| 1P060 | Fitting parameters of effective field for theoretical vibrational spectroscopy of aqueous salt solutions with Madrid-2019 force field (Saitama Univ.) *Tomoki Okabe, Harutaka Shiota, Tetsuyuki Takayama, Takuhiro Otosu, Shoichi Yamaguchi |
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[Biomolecules]
13:30-15:05
| 1P061 | Spectroscopic investigation toward elucidating the structural basis of the retinal binding pocket specificity in primate blue-sensitive cone pigment (Graduate School of Engeneering, Nitech.1,OptoBio Technology Reseach Reseach Center.2) *Sora Arai1, Yosuke Mizuno1, Hideki Kandori1,2, Kota Katayama1,2 |
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13:30-15:05
| 1P062 | Theoretical study on the metal selectivity of the lanthanide-binding protein Lanmodulin (Graduate School of Science and Technology, Keio Univ.1,Institute for Molecular Science2) *Yuka Maeyama1, Taichi Inagaki1, Miho Hatanaka1,2 |
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13:30-15:05
| 1P063 | Resonance Raman Investigation of Light-Driven Na+-Pumping Rhodopsin with Additional Schiff Base Counterion (Graduate School of Science, UOsaka) *Taiki Nakamura, Taito Urui, Yasuhisa Mizutani |
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13:30-15:05
| 1P064 | Changes in the structure around heme associated with ligand dissociation of HbV using time-resolved resonance Raman spectroscopy (Graduate School of Science, The University of Osaka) *Sawa Tanaka, Haruto Ishikawa, Yu Iritani, Taito Urui, Yasuhisa Mizutani |
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13:30-15:05
| 1P065 | Visualization of lipid peroxidation and analysis of the role of lipid droplets in ferroptotic processes by a single-cell Raman microscopy (Faculty of Pharmaceutical Sciences, Tohoku University1,Graduate School of Pharmaceutical Sciences , Tohoku University2) *Rei Kadokura1, Ryota Dobashi2, Masato Machida2, Shinji Kajimoto1,2, Takakazu Nakabayashi1,2 |
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13:30-15:05
| 1P066 | Development of super-resolution expansion Raman microscopy for probing internal structures of the nucleolus (Faculty of Pharmaceutical Sciences, Tohoku Univ.1,Graduate School of Pharmaceutical Sciences, Tohoku Univ.2) *Konoka Kobayashi1, Tsubasa Kobayashi1, Ren Shibuya2, Shinji Kajimoto1,2, Takakazu Nakabayashi1,2 |
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13:30-15:05
| 1P067 | Quantum chemical analysis of noncovalent interactions in protein secondary structures using Negative Fragmentation Approach (Graduate School of Biomedical Information Sciences, Hiroshima City University) *Yuichiro Oda, Yu Takano |
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13:30-15:05
| 1P068 | Theoretical analysis of structural and electronic properties of deuterium drug metabolism reactions for prediction of metabolic activity (Grad. Sch. Hiroshima Univ1,Grad. Sch. of Sci. Osaka Metropolitan Univ2) *Yuya Tanaka1, Yusuke Kanematsu1, Takayoshi Ishimoto1, David samuel Rivera rocabado2,1 |
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[Theory]
13:30-15:05
| 1P069 | Dependency of spin-orbit coupling effects in molecules upon the period and the group of elements. 1. Absorption spectra in mono-hydrides containing of Group 1 elements (Tohoku University) *Shiro Koseki, Manabu Kanno, Hirohiko Kono |
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13:30-15:05
| 1P070 | Nonadiabatic ab initio molecular dynamics for the photoisomerization pathway of 2E,4E-hexadiene on the electronically excited state, S3 (Graduate School of Science and technology, Sophia Univ., Japan1,Faculty of Science and Technology, Sophia Univ., Japan2) *Mingchen Chen1, Shirui Cui1, Shinkoh Nanbu2 |
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13:30-15:05
| 1P071 | Nonadiabatic photodissociation dynamics of a gas-phase morpholine monomer (Graduate School of Science and Technology, Sophia Univ.1,Faculty of Science and Technology, Sophia Univ.2) *Hiroyo Araiso1, Shinkoh Nambu2 |
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13:30-15:05
| 1P072 | Theoretical study on chemical bonding of 7p-elements compounds (Graduate School of Science, Kyushu Univ) *Kento Nakatsuji, Haruyuki Nakano, Yoshihiro Watanabe |
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13:30-15:05
| 1P073 | Investigation of three-component reaction pathways for the water-accelerated Passerini reaction: A RISM-SCF-cSED approach (Graduate School of Engineering, Kyoto Univ.1,Fukui Institute for Fundamental Chemistry, Kyoto Univ.2) *Shoji Notake1, Yudai Ichikawa1, Sara Suzuki1, Kanami Sugiyama1, Hirofumi Sato1,2 |
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13:30-15:05
| 1P074 | Molecular dynamics study on the Stokes-Einstein picture of highly concentrated electrolytes (School of Materials and Chemical Technology, Science Tokyo1,CLS, Science Tokyo2) *Riku Kitano1, Ryoma Sasaki1,2, Yoshitaka Tateyama1,2 |
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13:30-15:05
| 1P075 | Investigation of Force Field Dependence on Lithium-Ion Diffusion Behavior in Ionic Liquids using Molecular Dynamics Simulations (Graduate School of Energy Science, Kyoto Univ.) *Juyeon Jo |
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13:30-15:05
| 1P076 | Mechanistic Insights into the Aerobic Oxidation of Methane to Formaldehyde over Cu−Zeolite (Kyushu Univ.1,Doshisha Univ.2,Kyoto Univ.3) *Yoshihito Shiota1, Ryoga Toyoshima1, Ryoya Kugo2, Yohei Kametani1, Kazunari Yoshizawa3, Sakae Takenaka2 |
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13:30-15:05
| 1P077 | Natural bond orbital analyses of electronic changes contributing to the Raman intensity of paracyclophane (Univ. Electro-Commun.) Keigo Yamaguchi, *Yoshihiro Yamakita |
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13:30-15:05
| 1P078 | Theoretical Study of Strontium Dopant–Gradient-Enhanced Activity and Electronic Structure in NaTaO3 Photocatalysts (Graduate School of Engineering, Kyoto University1,PRESTO, Japan Science and Technology Agency (JST)2,Graduate School of Science, Kobe University3,Research Center for Membrane and Film Technology, Kobe University4,Division of Advanced Molecular Science, Institute for Molecular Science5,Fukui Institute for Fundamental Chemistry, Kyoto University6) *Ryusei Morimoto1, Hiroki Uratani1,2, Hiroshi Onishi3,4,5, Hirofumi Sato1,6 |
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13:30-15:05
| 1P079 | Density functional tight binding calculations of a tungsten surface with adsorbed fullerene (Gradute School of Science and Engineering,Kindai Univ.1,Faculty of Science and Engineering,Kindai Univ.2,Research Institute of Electronics,Shizuoka Univ.3) *Hiroki Funata1, Kumar Ravi2, Sinha Abhisek3, Hirofumi Yanagisawa3, Hirotaka Kitoh1,2 |
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13:30-15:05
| 1P080 | Preliminary Study of Integral Calculations in Next-Generation GPU Environments (The Research Organization for Information Science and Technology1,D3 Center, The University of Osaka2,NVIDIA Corporation3,Information Technology Center, Nagoya University4,Research Institute for Information Technology, Kyushu University5,Information Technology Center, The University of Tokyo6,Kagoshima University7,Faculty of Science, Rikkyo University8,Institute for Industrial Science, The University of Tokyo9) *Tatsuya Nakano1, Kota Sakakura2, Akira Naruse3, Tetsuya Hoshino4, Satoshi Ohshima5, Kengo Nakajima6, Takahiro Katagiri4, Takeshi Ishikawa7, Yuji Mochizuki8,9 |
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13:30-15:05
| 1P081 | Interaction of firefly luciferase mutants with luminescent substrates leads to bioluminescence color control (Graduate School of Engineering, Chiba Inst. of Tech.1,School of Pharmaceutical Science, Wakayama Medical Univ.2) *Takashi Saito1, Toru Nakatsu2, Norihumi Yamamoto1 |
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13:30-15:05
| 1P082 | Analysis of dynamical diverging reactions in biosynthetic reaction based on reduced dimensional reaction space (Grad. School Chem. Sci. Eng., Hokkaido Univ.1,Grad. School Sci., Hokkaido Univ.2,ICReDD, Hokkaido Univ.3) *Lihao Qu1, Takuro Tsutsumi2, Yuriko Ono3, Tetsuya Taketsugu2,3 |
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13:30-15:05
| 1P083 | Exploration of Reaction Conditions of Nucleophilic 211At-astatination with Multiobjective Optimization (Graduate School of CSE, Hokkaido Univ.1,G-QuAT, AIST2,RIES, Hokkaido Univ.3,ICReDD, Hokkaido Univ.4,Graduate School of Pharmaceutical Sciences, Hokkaido Univ.5,Graduate School of Sciences, Hokkaido Univ.6) *Tomoyuki Kitano1, Yuta Mizuno2,3,4, Akari Mukaimine4, Shunnichi Hashiba1, Kohei Nakajima5, Koji Tabata3,6,4, Mikako Ogawa5,4, Tamiki Komatsuzaki3,4 |
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13:30-15:05
| 1P084 | xenoBiotic: Ames mutagenicity predictor (2025) (Faculty of Regional Studies, Gifu Univ.1,xenoBiotic Inc.2) *Tomohiro Hashimoto1, Toshihiko Sawada1,2, Hiroaki Wasada1 |
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13:30-15:05
| 1P085 | Theoretical study on the effect of substituent introduction on the structure and electronic state of bis-periazulene (Graduate School of Engineering Science, The University of Osaka1,ICS-OTRI, The University of Osaka2,QIQB, The University of Osaka3,OTRI-Spin, The University of Osaka4) *Yuta Matsumoto1, Ryohei Kishi1,2,3, Kenji Okada1, Kohei Tada1,2, Yasutaka Kitagawa1,2,3,4 |
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13:30-15:05
| 1P086 | Theoretical study on the charge-state dependence of structure and electronic states in π-stacked antiaromatic systems (Graduate School of Engineering Science, Osaka University1,QIQB, Osaka University2,ICS- OTRI, Osaka University3,OTRI-Spin, Osaka University4) *Kousei Nishino1, Ryouhei Kishi1,2,3, Kenji Okada1, Kouhei Tada1,3, Yasutaka Kitagawa1,2,3,4 |
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13:30-15:05
| 1P087 | Theoretical study on the formation of the imidazole derivative in the ice using the GRRM method (Graduate School of Engineering, Chiba Inst. of Tech.) *Shuhei Inada, Hidenori Matsuzawa |
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13:30-15:05
| 1P088 | Development of SOC analytical nuclear gradients and evaluation of their impact on RISC rate constants (Graduate School of Science, Nagoya Univ1,ITbM, Nagoya Univ2) *Masaya Hagai1, Kazuhiro Fujimoto1,2, Takeshi Yanai1,2 |
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13:30-15:05
| 1P089 | Theoretical Study on the Electronic Properties of Various Closed- and Open-Shell Cyclic π-Conjugated Compounds (Yamaguchi Univ., Grad. Sch. Sci. Technol. Innov.) *Ryosuke Oitate, Michinori Sumimoto |
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13:30-15:05
| 1P090 | Structure–elasticity relationship of SEI films: evaluation via constant-electric potential Red Moon method (Graduate School of Informatics, Nagoya Univ.1,Future Value Creation Research Center, Nagoya Univ.2,Faculty of Science and Technology, Keio Univ.3,Institute of Innovation for Future Society, Nagoya Univ.4) *Yuichi Tanaka1,2, Hiroki Kondo1, Tomoyuki Kawase1, Keitaro Matsuda1, Taichi Inagaki3, Masataka Nagaoka4 |
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13:30-15:05
| 1P091 | Theoretical study on the formation reaction of benzene with propargyl cation in interstellar space (Graduate School of Engineering, Chiba Inst. of Tech.) *Mika Natori, Hidenori Matsuzawa |
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13:30-15:05
| 1P092 | Theoretical study of Enzymatic and Nonenzymatic Cope rearrangement reactions based on normal mode analysis (Graduate School of Science, Osaka Univ) *Ryohei Kiyofuji, Hayato Nakanishi, Takechika Kikkawa, Shusuke Yamanaka, Takashi Kawakami, Mitsutaka Okumura |
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13:30-15:05
| 1P093 | Theoretical Evaluation of the Reactivity of the Clemmensen Reaction Using a Homogeneous Model Catalyst (Graduate School of Sciences and Technology for Innovation, Yamaguchi University) *Takuro Hamada, Michinori Sumimoto |
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13:30-15:05
| 1P094 | An energy decomposition analysis method using number operators for non-orthogonal orbitals (Graduate School of Science, Tokyo Metropolitan Univ.) *Kazuki Miyazaki, Kaho Nakatani, Naoki Nakatani |
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13:30-15:05
| 1P095 | Theoretical Study on Charge Traps in Amorphous Organic Semiconductors (Department of Chemistry, OMU1,RIMED, OMU2,Department of Engineering, OMU3) *Yuto Harima1, Hiroyoshi Naito3,2, Yuki Mitsuta1,2, Toshio Asada1,2 |
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13:30-15:05
| 1P096 | Theoretical studies on the ground- and excited-state behaviors of diarylethene derivatives (Ibaraki University1,Nara Institute of Science and Technology2,Tokyo University of Agriculture and Technology3,The University of Rennes4) *Makoto Machiyama1, Taihei Kanou2, Marine Louis3, Lucie Jarrige4, Tsuyoshi Kawai2, Seiji Mori1 |
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13:30-15:05
| 1P097 | A study on the dynamic slowdown of a fragile supercooled liquid (IMS, Theoretical I) *Zhiye Tang, Shubham Kumar, Shinji Saito |
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13:30-15:05
| 1P098 | Kinetic and dynamic analysis of reaction path networks (Fac. Chem. Sci. and Eng., Hokkaido Univ.1,Fac. Sci., Hokkaido Univ.2,WPI-ICReDD, Hokkaido Univ.3,IQCE4) *Souei Takizawa1, Takuro Tsutsumi2, Yuriko Ono2,4, Kazuki Sada2, Tetsuya Taketugu2,3 |
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13:30-15:05
| 1P099 | PME-ONIOM molecular dynamics simulation for organic electrolytes (Graduate School of Science and Technology, Sophia Univ.1,Sophia University2) *Tomoya Watanabe1, Shinkoh Nanbu2 |
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13:30-15:05
| 1P100 | Optimal control for creating and maintaining superposition states of open quantum systems: Non-Markovian decoherence effects (Tohoku Univ.) *Yukiyoshi Ohtsuki, Ryoma Kawaoto |
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13:30-15:05
| 1P101 | Theoretical Modeling of Energy Transfer in Polarized Luminescent(PL) Materials under Environmental Interaction (Graduate School of Science, Kyoto Univ.1,Graduate School of Energy Science, Kyoto Univ.2) *Hyeonseok Yang1, Juyeon Jo2 |
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13:30-15:05
| 1P102 | Theoretical study on complex ions of eugenol and iron(Ⅲ) chloride in ethanol (Nagasakinishi High School1,Graduate School of Integrated Production Sciences, Nagasaki University2,Faculty of Regional Studies, Gifu University3) *Masamune Maekawa1, Takuto Hirakawa1, Haru Maeda1, Koshi Yoshida1, Yukimi Nomaguchi1, Yuji Tanaka1, Momota Shirakawa1, Yoshinobu Gondoh1,3, Daisuke Noguchi2, Tomohiro Hashimoto3 |
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