Friday, September 12 (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
| 4P001 | Development of pulsed discharge nozzles for laser spectroscopy of mass-selected neutral radical clusters (Graduate School of Science, Tohoku Univ.) *Shuma Ueno, Kei Kitamura, Yoshiyuki Matsuda, Asuka Fujii |
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13:30-15:05
| 4P002 | Observation of rovibrational wave packets of N2Ar by Coulomb explosion imaging (Science Tokyo1,School of Science, Kitasato Univ.2) *Nanaho Yoshizawa1, Toru Sasaki1, Tomomi Murai1, Kenta Mizuse2, Yasuhiro Ohshima1 |
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13:30-15:05
| 4P003 | Theoretical verification of ultrafast molecular imaging by chirped-laser-assisted electron diffraction (Graduate School of Science, Tokyo Metropolitan Univ.) *Suzuka Dobashi, Reika Kanya |
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13:30-15:05
| 4P004 | Photoelectron-Photoion coincidence spectroscopy of formic acid ionized in intense laser fields (Science Tokyo) *Mizuki Kinjo, Taiki Kimura, Yasuhiro Ohshima, Masakazu Yamazaki |
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13:30-15:05
| 4P005 | Fourier Transform Microwave Spectra of maltol (Graduate School of Science and Technology, Sophia Univ.) *Ryota Horimoto, Nobuhiko Kuze, Yoshiyuki Kawashima |
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13:30-15:05
| 4P006 | Changes in Intermolecular Interactions of Benzoxazole-dimethylamine clusters upon S1-S0 transition (Department of chemistry, Fukuoka University) *Yuki Murakami, Marina Tani, Masahiro Kumabe, Yuji Yamada, Yoshinori Nibu |
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13:30-15:05
| 4P007 | Wavelength dependence of delayed fragmentation of ethanol molecules induced by vacuum ultraviolet light (Graduate School of Engineering, Kyoto Univ.1,Institute for Molecular Science2) *Tomohiko Nakao1, Tatsuo Kaneyasu2, Takuma Yanagawaya1, Hiroshi Iwayama2, Hidetsugu Tsuchida1, Manabu Saito1, Takuya Majima1 |
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13:30-15:05
| 4P008 | Photofragment imaging of oriented alkyl bromides (CH3Br, C2H5Br) for evaluating their transition dipole moments (MDSC, Hokkaido Univ.1,Grad. School of Sci., Insti. of Sci. Tokyo2,Grad. School of Sci., Univ. of Osaka3) *Hiroshi Kawamata1, Masaaki Nakamura2, Dock-chil Che3 |
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13:30-15:05
| 4P009 | Structures of potassium-doped sodium chloride clusters studied by cryogenic ion mobility-mass spectrometry (Graduate School of Science, Tohoku Univ.1,Faculty of Engineering, Univ. of Yamanashi2,Faculty of Education, Hokkaido Univ. of Education3) *Tensho Kishi1, Shunsuke Kamioka1, Lee chuin Chen2, Keijiro Ohshimo3, Fuminori Misaizu1 |
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13:30-15:05
| 4P010 | Infrared intensity enhancement in HX(X=F, Cl, Br) hydrogen-bonded complexes (Iwate Univ.) *Eiichi Suzuki, Yuta Sai, Ryu Tobita, Eisuke Saito, Hayato Konaka, Hitoshi Yashiro |
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13:30-15:05
| 4P011 | Structural study of potassium ion channel mimics–alkali metal Ion complexes by cryogenic Ion trap Infrared spectroscopy (School of Science, IST Univ.1,R&D Init., Chuo Univ.2,Illinois Univ.3,IRFI4) *Satoru Tanabe1, Riku Ishibashi1, Riki Hokama1, Keisuke Hirata1, Lisy James m.3,4, Masaaki Fujii2,4, Shun-ichi Ishiuchi1 |
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13:30-15:05
| 4P012 | Infrared spectroscopy of alkane-H2O clusters: Alkyl chain dependence of the OH...C hydrogen bond (Graduate School of Science, Tohoku Univ.) *Ryoga Yoshida, Shuma Ueno, Yoshiyuki Matsuda, Asuka Fujii |
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13:30-15:05
| 4P013 | Isotope effects in H2O and D2O clusters: investigation by constrained nuclear electronic orbital method and electronic structure analysis (Graduate School of Science and Technology, Chuo Univ.) *Kohei Motoki, Hirotoshi Mori |
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[Clusters]
13:30-15:05
| 4P014 | Theoretical insights into structural stability of cyclic Ni(II) complexes with flexible tripeptide ligands (College of Liberal Arts and Sciences, Kitasato Univ.1,Graduate School of Humanities and Sciences．Ochanomizu Univ.2) *Kaori Ueno-noto1, Ryosuke Miyake2 |
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13:30-15:05
| 4P015 | Observation of fluorescence by whispering gallery mode in micro spherical cavity (Osaka Metropolitan Univ.) *Kenta Miyajima, Tomoyuki Yatsuhashi, Kenji Sakota |
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13:30-15:05
| 4P016 | Investigation of electrospray ionization processes by Ion Trap Ion Mobility Spectrometry (Graduate School of Science, Toho Univ.) *Takato Washizu, Shinnosuke Kimura, Hyuga Takiguchi, Toshiki Sugai |
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13:30-15:05
| 4P017 | Relationship between photoluminescence properties and surface structure of rice husk-derived silicon quantum dots: toward applications in quantum dot LED (Graduate School of Advanced Science and Engineering, Hiroshima University1,N-BARD, Hiroshima University2) *Kaho Uei1, Honoka Ueda1, Li Wang1, Ken-ichi Saitow2 |
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13:30-15:05
| 4P018 | Development of a scanning ultrafast electron microscope (Science, Tokyo Metropolitan University) *Mizuha Iijima, Kosuke Matsuo, Jun Matsumoto, Reika Kanya |
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13:30-15:05
| 4P019 | Precise accumulation of metal guests using multiionic macromolecular capsules as a template (Grad. Sch. Eng., UTokyo1,IIS, UTokyo2,FOREST, JST3) *Ryotaro Sakamoto1, Takamasa Tsukamoto1,2,3 |
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13:30-15:05
| 4P020 | Structural Analysis of Single Particles of Rare gases Based on X-ray Diffraction with Single XFEL Pulses and Numerical Simulation (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,Faculty of Science, Nara Women's Univ.2,Graduate School of Science. Kyoto Univ.3,QST4,Graduate School of Science. University of Hyogo5,Faculty of Science, RIKKYO UNIVERSITY, Japan6,Department of Physics “Aldo Pontremoli”, University of Milan7,CEA Paris-Saclay8,JASRI9,RIKEN RSC, Japan10,Faculty of Advanced Science and Technology, Kumamoto University, Japan11,Paul Scherrer Institute, Switzerland12,Graduate School of Science and Faculty of Science, Tohoku University, Japan13,Graduate School of Humanities and Social Sciences, Hiroshima University, Japan14) *Shohei Asakura1, Yoshiaki Kumagai2, Kiyonobu Nagaya3, Harries James r.4, Tatsuo Gejo5, Kakuto Yoshioka1, Susumu Kuma6, Rossi Giorgi7, Finardi Alice7, Miron Catalin8, Shigeki Owada9, Koji Motomura10, Takashi Kameshima9, Yasumasa Joti9, Tadashi Togashi9, Tetuo Katayama9, Kensuke Tono9, Makina Yabashi10, Kazuhiro Matsuda11, Bostebt Christoph12, Kiyoshi Ueda13, Shin-ichi Wada1, Akinobu Niozu14 |
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13:30-15:05
| 4P021 | Optical Measurement of Nanoparticles with Ion Trap Ion Mobility Spectrometry (Department of Chemistry, Toho Univ.) *Hyuga Takiguchi, Takato Washizu, Shinnosuke Kimura, Toshiki Sugai |
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13:30-15:05
| 4P022 | Generation of unique hydrocarbon molecules through propenyl radical intermediates. (Graduate School of Science and Engineering, Kindai University1,Department of Science, Kindai University2) *Kanta Masuda1, Yoshihiro Ito2, Yuya Ikeda1, Keito Morimoto1, Tomonari Wakabayashi1 |
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13:30-15:05
| 4P023 | Synthesis of five novel copper nanocluster assemblies via rational solvent and linker design: Elucidating key factors in structural formation (Graduate School of Science, Tohoku Univ.1,Institue of Multidisciplinary Research fo Advanced Materials, Tohoku Univ.2) *Ayumu Kondo1, Riki Nakatani1, Tokuhisa Kawawaki2, Das Saikat2, Yuichi Negishi2 |
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[Solid phase]
13:30-15:05
| 4P024 | Investigation of carrier doping effects in LiPc thin films and their application in electronic devices. (Graduate School of Science and Technology, Kumamoto Univ.1,Faculty of Advanced Science and Technology, Kumamoto Univ.2) *Ayaka Honda1, Kiyonori Takahashi2, Masaki Matsuda2 |
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13:30-15:05
| 4P025 | Circularly Polarized Light Detection with Organic MISIM Photocells Containing Chiral Ru Complexes (Grad. Sc. Sci., Nagoya Univ.1,SLAC, Saga Univ.2,NIT, Toyota College3,RCMS, Nagoya Univ.4) *Hiroshi Kinoshita1, Akihiro Tomimatsu1, Mizuho Fushitani1, Akitaka Matsuda1, Rie Suizu2, Kunio Awaga3, Akiyoshi Hishikawa1,4 |
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13:30-15:05
| 4P026 | Ionization energy measurement of charge-transfer complexes (Graduate School of Natural Science, Konan Univ.1,Department of Chemistry, Konan Univ.2) *Takuto Imai1, Shigeru Ikeda2, Tomofumi Kadoya2 |
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13:30-15:05
| 4P027 | Observation of the molecular arrangement and electronic structure of triptycene derivatives with C3 symmetry on solid surface (Graduate School of Science, Nagoya Univ.1,Saga Light Application Center, Saga Univ.2,JST PRESTO3,National Institute of Technology (KOSEN), Toyota College4) *Haruka Nishiyama1, Isamu Yamamoto2, Rie Suizu2,3,1, Kunio Awaga4,1 |
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13:30-15:05
| 4P028 | Molecular Assembly Structure and Physical Properties of Liquid Crystalline Molecules based on Fluorine Substituted Aryl Glutarate Ester Derivative (IMRAM, Tohoku Univ.1,Graduate School of Engineering, Tohoku University2,National Taipei University of Technology3) *Yotaro Kasahara1,2, Kanae Wakamatsu2, Shun Dekura1,2, Tetsu Sato1,2, Hsiu hui Chen3, Tomoyuki Akutagawa1,2 |
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13:30-15:05
| 4P029 | Electronic phase control in a low-dimensional conductor TiSe2 with competing superconductivity and charge order via organic molecular intercalation (Graduate School of Engineering, Kyoto Univ.1,Graduate School of Science, Nagoya Univ.2,Graduate School of Science, Tohoku Univ.3,Graduate School of Science, Kyoto Sangyo Univ.4) *Yukito Okuda1, Koki Yanagizawa3, Katsuaki Sugawara3, Kouji Segawa4, Takafumi Sato3, Shu Seki1, Masayuki Suda2 |
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13:30-15:05
| 4P030 | Synthesis, structures, and physical properties of molecular conductors based on STF derivatives with meso-dimethylethylenedithio group (Graduate School of Science and Engineering, Ehime University1,Research Unit for Materials Development for Efficient Utilization and Storage of Energy, Ehime University2) *Motohiro Kaino1, Ryoya Naito1, Masahiro Fujisaki1,2, Takashi Shirahata1,2, Yohji Misaki1,2 |
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13:30-15:05
| 4P031 | Halide solid solution of perovskite-type molecular crystals with 1, 3, 5-triaza-7-phosphaadamantane (Graduate School of Sciences and Technology for Innovation, Yamaguchi University1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University2) *Yumi Matsuda1, Rentaro Asai1, Jumpei Moriguchi1, Atsuko Masuya-suzuki1, Tomoyuki Akutagawa2, Ryo Tsunashima1 |
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13:30-15:05
| 4P032 | Fabrication of memory devices incorporating cyclic polyoxometalates (Grad. Sch. Adv. Sci. Eng. Hiroshima Univ1,Material Gate Inc.2,NIT, Ube College3,CResCent , Hiroshima Univ4,PRESTO, JST5) *Kazushi Takeda1, Masaki Arima1, Rikuto Tamatani1, Yuma Takemoto1, Yuki Nakano2, Chisato Kato1, Jun Manabe1, Masaru Fujibayashi3, Takayoshi Nakamura1, Sadafumi Nishihara1,4,5 |
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13:30-15:05
| 4P033 | Polarization dependence of picosecond emission dynamics of thermally activated delayed fluorescent molecules in single crystals (Department of Chemistry, Kyushu University1,OPERA, Kyushu University2) *Takuya Oba1, Tomohiro Ryu1, Shintaro Kohata2, Hajime Nakanotani2, Chihaya Adachi2, Tatsuya Yoshida1, Tomohiro Ogawa1, Kiyoshi Miyata1, Ken Onda1 |
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13:30-15:05
| 4P034 | Structural tuning of the capsule-type polyoxometalate[H2V10O18(O3PC12H8PO3)4]8- (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,CResCent, Hiroshima Univ.2,PRESTO, JST3) *Minami Tsuruda1, Kazushi Miyashiro1, Masato Haneda1, Chisato Kato1, Jun Manabe1, Takayoshi Nakamura1, Sadafumi Nishihara1,2,3 |
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13:30-15:05
| 4P035 | Multifunctional Properties Driven by Anion Packing in Lanthanide Phthalocyanine-Based Binary Ionic Crystals (Graduate School of Engineering, Tohoku University1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University2,Department of Science, Josai University3) *Tetsu Sato1,2, Shun Dekura1,2, Keiichi Katoh3, Tomoyuki Akutagawa1,2 |
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13:30-15:05
| 4P036 | Analysis of Cobalt Coordination Changes during the Humidification–Drying Process of Cobalt Chloride-Containing Polyvinyl Alcohol Films by Simultaneous X-ray Absorption and UV–Vis Spectroscopy (Graduate School of Engineering, Kyushu Univ.) *Sota Fukuzawa, Toshio Ishioka, Akira Harata |
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13:30-15:05
| 4P037 | Structures and properties of BEDT-TTF salts with R- or rac-3-chloro-2-hydroxypropanesulfonate (Graduate School of Science, The University of Osaka) *Bunkichi Hasegawa, Hiroki Akutsu, Yasuhiro Nakazawa |
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13:30-15:05
| 4P038 | Synthesis and Properties of Homoleptic Metal Complexes with Aromatic-Ring Substituted Redox-Active Ligands (Graduate School of Science, Kobe University1,Research Center for Membrane and Film Technology, Kobe University2) *Kyoko Tamura1, Tomoyuki Mochida1,2, Kazuyuki Takahashi1 |
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13:30-15:05
| 4P039 | Structures and properties of BEDT-TTF salts with vinylsulfonate derivatives(R-SO3-, R = CH2=CH-CH2-, CH2=CH-, CH2=C(CH3)-CH2-) (Graduate School of Science, Osaka Univ.) *Toki Morikawa, Hiroki Akutsu, Yasuhiro Nakazawa |
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13:30-15:05
| 4P040 | Hydrogen-bonding energy of Pyrrole-3,5-Dimethylpyridine hydrogen-bonding complex in carbon tetrachloride solvent (BC-Gr., NIT, Kumamoto College.) *Yoshisuke Futami |
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[Surface]
13:30-15:05
| 4P041 | Role of P Atom in Ru2P Catalyzed Selective Hydrogenation of Nitrobenzene (Grad. School of Frontier Sciences, Tokyo Univ1,Institute for Catalysis, Hokkaido Univ2,Grad. School of Engineering Science, Osaka Univ3,Grad. School of Science, TMU4) *Kakeru Kubo1, Hiroya Ishikawa2, Takato Mitsudome3, Naoki Nakatani4 |
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13:30-15:05
| 4P042 | Characterization of the chemically modified aluminum surfaces for understanding the interfacial adhesion properties (Graduate School of Engineering, Chiba University1,Graduate School of Engineering, Nagoya Institute of Technology2,Kobe Steel, Ltd.3) *Kumpei Kobori1, Takayuki Miyamae1, Shuji Ogata2, Shintaro Yamamoto3, Yusuke Takahashi3 |
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13:30-15:05
| 4P043 | Nano-scale distribution of the oxidated functional groups on single-walled carbon nanotubes using photo-induced force microscopy (AIST, Nanocarbon Material Research Institute1,AIST, Research Institute for Sustainable Chemistry2) *Kaori Fujii1, Kazufumi Kobashi1, Yasuhiko Fujita2, Takahiro Morimoto1, Hideaki Nakajima1, Toshiya Okazaki1 |
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13:30-15:05
| 4P044 | Electronic Excited State Dynamics of Oligothiophene Thin Films (Graduate School of Science, Kyoto Univ.) *Jingyang Liu, Naoki Nagatsuka, Takanori Koitaya, Kazuya Watanabe |
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13:30-15:05
| 4P045 | Translational diffusion and isomerization reaction of a liquid crystal molecule at the solid-liquid interface of ionic liquids (Graduate School of Science and Engineering , Doshisha Univ.) *Masaki Fujiwara, Yoshifumi Kimura |
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13:30-15:05
| 4P046 | Mechanistic analysis of the oxygen evolution reaction of Ni-based electrode by Raman spectroscopy and machine-learning analysis (Department of Chemistry, Faculty of Science, Hokkaido University1,Graduate School of Chemical Sciences and Engineering, Hokkaido University2,JST-PRESTO3) *Krishna Halder1, Kenko Tsuchimoto2, Masaki Itatani1, Tomohiro Fukushima1,3, Kei Murakoshi1 |
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13:30-15:05
| 4P047 | Electronic states analysis of redox reactions at electrochemical interfaces using X-ray absorption spectroscopy (School of Science, Inst. of Sci. Tokyo1,RIKEN2,LASTI Univ. of Hyogo3,JASRI4,Inst. of Basic Science5,Univ. of Tokyo6) *Takahide Miyamoto1,2, Yasuyuki Yokota2, Takuo Ohkochi2,3,4, Tomoaki Nishino1, Yousoo Kim2,5,6 |
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13:30-15:05
| 4P048 | Modulation of oxygen water co-adsorption effect on graphene and mono-layer MoS2 by applying gate voltage (Graduate School of Science and Engineering, Hosei Univ.1,Department of Electrical and Electronic Engineering, National Defense Acad.2) *Takumi Yoshida1, Yasushi Ishiguro2, Kazuyuki Takai1 |
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13:30-15:05
| 4P049 | Sum-frequency generation vibrational spectroscopy of water on Pt(211) (Graduate School of Science, Kyoto Univ.) Naoki Nagatsuka, Takumi Ohtsuki, Takanori Koitaya, *Kazuya Watanabe |
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[Liquid phase]
13:30-15:05
| 4P050 | The electronic structure of 18-crown-6 / metal salt complexes in solution observed by soft X-ray absorption spectroscopy (Graduate School of Sciences and Technology for Innovation, Yamaguchi Univ.1,RIKEN RSC2,Graduate School of Advanced Science and Engineering, Hiroshima Univ.3,Institute for Molecular Science4,SOKENDAI5) *Yuki Shiro1,2, Osamu Takahashi3, Masaki Oura2, Masanari Nagasaka4,5, Yuka Horikawa1,2 |
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13:30-15:05
| 4P051 | Investigation of Intermolecular Interactions in Pyruvic Acid (Ishikawa Pref. Univ.1,Chukyo Univ.2,Shimane Univ.3,JASRI4) *Hironori Shimakura1, Shuta Tahara2, Koji Ohara3,4 |
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13:30-15:05
| 4P052 | Reaction mechanism of ozone oxidation of iodide ion and terpenoid mixtures (Graduate School of Science, Tsukuba Univ.) *Yuta Mizuno, Shinichi Enami, Naoki Numadate |
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13:30-15:05
| 4P053 | Energy level engineering using vibrational polariton formation (NAIST) *Masaki Kiyokawa, Garrek Stemo, Hiroyuki Katsuki |
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13:30-15:05
| 4P054 | Time-resolved photoelectron spectroscopy of liquids using a 50 kHz extreme ultraviolet laser (Graduate School of Science, Kyoto Univ.) Yo-ichi Yamamoto, *Amiru Ohata, Toshinori Suzuki |
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13:30-15:05
| 4P055 | Visualization of Rapid Mixing in a T-shape Micromixer Using Luminol Chemiluminescence (Department of Chemistry, Kyushu University1,Department of Chemistry, Faculty of Science, Hokkaido University2,Department of Engineering, Kyushu University3) *Yuki Ishii1, Tomohiro Ogawa1, Ken Onda1, Hiromichi Miyagishi2, Yosuke Ashikari2, Aiichiro Nagaki2, Asano Shusaku3, Kiyoshi Miyata1 |
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13:30-15:05
| 4P056 | Liquid structure of ionic liquids studied by multivariate analysis of temperature-dependent low-frequency Raman spectra (Graduate school of Science & Engineering, Chuo Univ.) *Kazuya Yashiro, Hajime Okajima |
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13:30-15:05
| 4P057 | Solvation structure analysis of I－ in 1,4-dioxane-acetonitorile mixed solvent system by using UV(-vis) absorption spectroscopy (Graduate School of Science, Tohoku Univ.1,Institute for Excellence in Higher Education, Tohoku Univ.2) *Seiya Nakahata1, Toshihiko Maeyama1,2, Asuka Fujii1 |
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13:30-15:05
| 4P058 | Viscosity study of 1-butanol aqueous solutions (National Institute of Technology, Ariake College1,College of Humanities and Sciences, Nihon Univ.2) *Kazuki Furukawa1, Ken Judai2 |
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13:30-15:05
| 4P059 | Solvent effects on formation of ground-state twisted intermediate during electronic relaxation of pyrimidine nucleobases (Department of Chemistry, Graduate School of Science, Kyoto University) Yuki Obara, *Srijon Ghosh, Shota Kamibashira, Toshinori Suzuki |
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13:30-15:05
| 4P060 | Analysis of Cu–catalyzed azide–alkyne cycloaddition using DFT calculations (Graduate School of Engineering, Kyoto Univ.1,Scuola Normale Superiore2,Fukui Institute for Fundamental Chemistry, Kyoto Univ.3,Graduate School of Informatics, Nagoya Univ.4) *Hikaru Oshimo1, Yuki Nukumi1, Leonardo Sabattini2, Kanami Sugiyama1, Hirofumi Sato1,3, Masahiro Higashi4 |
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13:30-15:05
| 4P061 | Hydration structure of inorganic salt solutions at various concentrations: A molecular dynamics approach (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,Research Institute for Synchrotron Radiati on Science, Hiroshima University2) *Ayana Sato1, Osamu Takahashi2 |
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[Biomolecules]
13:30-15:05
| 4P062 | MCR-ALS raman imaging of Actinoplanes sporangia toward the elucidation of their novel membrane component (Graduate School of Science and Technology, Kwansei Gakuin University, Japan1,Graduate School of Agricultural and Life Sciences, The University of Tokyo, Japan2,Collaborative Research Institute for Innovative Microbiology, The University of Tokyo, Japan3) *Chiharu Furumoto1, Takeaki Tezuka2,3, Yasuo Ohnishi2,3, Shinsuke Shigeto1 |
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13:30-15:05
| 4P063 | Quantitative analysis of oil droplets in filamentous fungal hyphae using in vivo Raman imaging (Graduate School of Science and Technology, Kwansei Gakuin University1,Graduate School of Technology, Industrial and Social Sciences, Tokushima University, Tokushima, Japan2) *Yui Ogawa1, Takaiku Sakamoto2, Eiji Sakuradani2, Shinsuke Shigeto1 |
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13:30-15:05
| 4P064 | Quantum chemical evaluation of noncovalent interactions in biomolecules with the combination of ONIOM method and negative fragmentation approach (Grad. Sch. of Info. Sci., Hiroshima City Univ.1,Grad. Sch. of Adv. Sci. Eng., Hiroshima Univ.2,Faculty of Eng., Kitami Inst. Tech.3,IPR, Osaka Univ.4) *Yu Takano1, Yusuke Kanematsu2, Yuichiro Oda1, Hiroko Kondo3, Haruki Nakamura4 |
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13:30-15:05
| 4P065 | High-speed confocal microscopic Raman imaging using mechanical streak camera (Graduate School of Sci. and Eng. Aoyama Gakuin Univ.) *Ami Okada, Rintaro Shimada, Akira Sakamoto |
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13:30-15:05
| 4P066 | Electronic structures of Ni-Fe-based enzyme and catalysts for H₂ evolution (Graduate School of Pure and Applied Science, Tsukuba Univ.1,Center for Computational Sciences, Tsukuba Univ.2,Inst. Phil. Interdiscip. Sci., Kanazawa Univ.3) *Shota Ikeda1, Kouichi Miyagawa2, Yuta Hori3, Mitsuo Shoji2, Yasuteru Shigeta2 |
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13:30-15:05
| 4P067 | Development of microscopic transient grating method for reaction analysis in confined spaces (Graduate School of Science, Kyoto Univ1,Toyohashi University of Technology2) *Akito Nishino1, Kosuke Nishitani1, Moeto Nagai2, Masahide Terazima1, Yusuke Nakasone1 |
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13:30-15:05
| 4P068 | Effect of Ascorbic Acid Addition on the Inclusion Complex of γ-Cyclodextrin and α-Lipoic Acid (Graduate School of Advanced Science and Engineering. Hiroshima Univ.1,School of Science. Hiroshima Univ.2) *Junpei Koizumi1, Ken Sakayauchi2, Shinichi Wada1, Hiroaki Yoshida1 |
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13:30-15:05
| 4P069 | Study of molecular dynamics in α-synuclein droplets using time-resolved EPR spectroscopy (Graduate School of Science, Kobe Univ.) *Daiki Tomiya, Kenji Fujitsuka, Masaaki Fuki, Eri Chatani, Yasuhiro Kobori |
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[Theory]
13:30-15:05
| 4P070 | Theoretical Analysis of the Reaction Mechanism of Benzene Oxide Photoisomerization via S2 State Excitation (Graduate School of Science, Sophia Univ.1,Faculty of Science and Technology, Sophia Univ.2) *Shirui Cui1, Shinkoh Nambu2 |
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13:30-15:05
| 4P071 | Three-dimensional alignment of asymmetric-top molecules using elliptically polarized laser pulses: machine learning for predicting control mechanisms (Graduate School of Science, Tohoku Univ.1,Japan Atomic Energy Agency2) *Ryoma Kawaoto1, Tomotaro Namba2, Yuta Kumagai2, Yukiyoshi Ohtsuki1 |
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13:30-15:05
| 4P072 | Population inversion in CO2+ in an ultrashort intense laser field (School of Science, The University of Tokyo1,iTHEMS, RIKEN2,Institute for Attosecond Laser Facility, The University of Tokyo,3) *Siwei Huang1, Erik Lötstedt1,2, Kaoru Yamanouchi1,3 |
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13:30-15:05
| 4P073 | Development of harmonic solvation model method through gaussian charge contributions (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
| 4P074 | All-Atom Molecular Dynamics Simulation of Thermoresponsive Behavior of Amide-Based Polymers in Aqueous Solution (Grad. Sch. Chem. Sci. Eng., Hokkaido Univ.1,Fac. Sci., Hokkaido Univ.2) *Kotaro Fujii1, Takuro Tsutsumi1,2, Kazuki Sada1,2 |
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13:30-15:05
| 4P075 | Non-adiabatic Transition Dynamics in Aggregation-Induced Emission of Tripodal Molecules (Graduate School of Engineering, Chiba Institute of Technology1,School of Science, Kitasato Univ.2,Nippon Medical School, Medical3) *Toshiya Yamakami1, Norifumi Yamamoto1, Masafumi Ueda2, Hiroshi Fuzisaki3 |
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13:30-15:05
| 4P076 | Analysis of structure and physical properties of intercalated molecules in zirconium phosphate using first-principles calculations (Grad. Sch. Sci. Tech., Kanazawa Univ.1,Science & Innovation Center, Mitsubishi Chemical Corporation2,Inst. Phil. Interdiscip. Sci., Kanazawa Univ.3,Nanomaterials Research Institute, Kanazawa Univ.4) *Yoshinori Sawa1, Hiroki Sugisawa2, Yuta Hori3, Tomonori Ida1, Motohiro Mizuno1,4 |
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13:30-15:05
| 4P077 | Nuclear quantum states and intermolecular energy density of Li+ in [Li+@C60]PF6- (Graduate School of Science, Yamagata Univ.) *Yusuke Suto, Hideo Ando |
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13:30-15:05
| 4P078 | Solvation structure analysis of the electron transfer at the liquid-liquid interface by three-dimensional free energy calculations (Graduate School of Science, Tohoku Univ) *Haruya Kanegasaki, Tomonori Hirano, Akihiro Morita |
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13:30-15:05
| 4P079 | A theoretical study on size selectivity in the formation of mechanically interlocked carbon nanotubes (Kyoto Institute of Technology) *Shuji Nagata, Kazuma Takahata, Takashi Yumura |
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13:30-15:05
| 4P080 | DFT Benchmark Calculations for the Design of Functional Multinuclear Metal Complexes (Hyogo Prefectural Institute of Technology1,QunaSys Inc.2,Graduate School of Science, The University of Osaka3) *Masahiro Kouno1, Shota Takamuku2, Soichiro Nishio2, Nobuto Yoshinari3 |
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13:30-15:05
| 4P081 | Electron density-based analysis of anisotropic electrostatic interactions in chalcogen bonds formed by sulfur atoms (Graduate School of Engineering, Shizuoka Univ.) *Haruto Yamada, Hajime Torii |
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13:30-15:05
| 4P082 | Exploring the origin of firefly bioluminescence: molecular evolutionary mechanisms of luminescent proteins (Graduate School of Engeering, Chiba Inst. of Tech.1,College of Bioscience and Biotechnology, Chubu Univ.2,School of Pharmaceutical Science, Wakayama Medical Univ.3) *Hayaki Matsubara1, Yuichi Ooba2, Toru Nakatsu3, Norifumi Yamamoto1 |
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13:30-15:05
| 4P083 | Development of efficient machine learning potentials informed by quantum chemical calculations and their application to molecular dynamics (Graduate School of Medicine,Kyoto Univ.1,RIKEN R-CCS2) *Yudai Kobayashi1, Takao Otsuka1, Yasushi Okuno1,2 |
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13:30-15:05
| 4P084 | Development of a new methodology for describing state-to-state transitions (Graduate School of Engineering Science, the University of Osaka1,Institute for Materials Chemistry and Engineering, Kyushu University2) *Kento Kasahara1, Toshifumi Mori2, Nobuyuki Matubayasi1 |
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13:30-15:05
| 4P085 | Development of virtual borane method: computational approach for design of lewis acid catalysts (Graduate school of chemical sciences and engineering, Hokkaido University.1,Faculty of science, Hokkaido University.2,JST-ERATO.3,WPI-ICReDD, Hokkaido University.4) *Ken Hirose1, Satoshi Maeda2,3,4, Wataru Matsuoka2,3,4 |
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13:30-15:05
| 4P086 | Analytical gradient of second-order Møller-Plesset perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals (Graduate School of Science, Nagoya Univ.1,Institute of Transformative Bio-Molecules (WPI-ITbM), Nagoya Univ.2) *Manami Hayashi1, Masaaki Saitow1, Takeshi Yanai1,2 |
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13:30-15:05
| 4P087 | Nuclear quantum effects on the structure and energy of H3+(H2)n (n = 0~3) clusters (Gifu Univ.1,Science Tokyo2,Yokohama City Univ.3) *Kotomi Nishikawa1, Hikaru Tanaka1, Kazuaki Kuwahata2, Masanori Tachikawa3, Taro Udagawa1 |
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13:30-15:05
| 4P088 | An Electronic Reinterpretation of Pericyclic Reaction Mechanisms (Grad. School of Chem. Sci. Eng., Hokkaido Univ.1,Fac. Sci., Hokkaido Univ.2,WPI-ICReDD, Hokkaido Univ.3,Grad. School of System Informatics, Kobe Univ.4) *Masaya Tsuruta1, Takuro Tsutsumi2, Tetsuya Taketsugu2,3, Takao Tsuneda3,4 |
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13:30-15:05
| 4P089 | Proposal and Reactivity Evaluation of Novel Organometallic Catalysts for NOx and CO Detoxification (Yamaguchi University (Grad. School of Sci. & Tech. for Innovation)1,Kumamoto Univ. (Grad. Sch. of Adv. Sci. & Tech.)2) *Kotoko Shioya1, Toshiki Adachi1, Hitoshi Fujimoto2, Mochinori Sumimoto1 |
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13:30-15:05
| 4P090 | A theoretical study of the substituent effects on the aggregation structure of covalent organic frameworks (Denso) *Suzuki Ryuta, Kitagawa Kan, Nishio Takahiro, Masane Kin, Ono Taisuke, Yanai Kazuma |
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13:30-15:05
| 4P091 | Theoretical study on nonradiative deactivation process of indigo and its derivatives (School of Advanced Science and Engineering, Waseda Univ.1,Waseda Research Institute for Science and Engineering, Waseda Univ.2,Faculty of Pharmaceutical Science, Toho Univ.3,Graduate School of Science and Technology, Hirosaki Univ.4,Faculty of Science and Technology, Hirosaki Univ.5) *Rena Komoriya1, Yoshifumi Nishimura2, Takeshi Yoshikawa2,3, Shohei Yamazaki4,5, Hiromi Nakai1,2 |
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13:30-15:05
| 4P092 | Thermodynamic calculation of biomass molecules based on highly accurate estimation of electron correlation energies using composite method (WISE, Waseda Univ.1,Dept. of Chem. & Biochem., Waseda Univ.2) *Mikito Fujinami1, Hiromi Nakai1,2 |
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13:30-15:05
| 4P093 | Theoretical study on dissociation reaction of nitrogen molecules on lithium clusters (Graduate School of Nanobioscience, Yokohama City Univ.) *Go Fujihara, Makito Takagi, Masanori Tachikawa, Koichi Yamashita, Tomomi Shimazaki |
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13:30-15:05
| 4P094 | Interpretable prediction of reaction pathways via reinforcement learning (Grad. Sch. Sci. Tech., Kanazawa Univ.1,Science & Innovation Center, Mitsubishi Chemical Corporation2,Inst. Phil. Interdiscip. Sci., Kanazawa Univ.3,Nanomaterials Research Institute, Kanazawa Univ.4) *Kazuki Higuchi1, Hiroki Sugisawa2, Yuta Hori3, Tomonori Ida1, Motohiro Mizuno1,4 |
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13:30-15:05
| 4P095 | Parameter optimization of long-range corrected density functionals for application to transition-metal complexes (Graduate School of Science and Technology, Tsukuba Univ.) *Yukinojo Kikuchi, Kiyoshi Yagi, Toru Matsui |
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13:30-15:05
| 4P096 | Theoretical study on structure-spin-state correlation of cytochrome P450 by data-driven approach (Osaka Univ.1,RIKEN R-CCS2) *Mizuki Otsuka1, Takashi Kawakami1,2, Shusuke Yamanaka1, Mitsutaka Okumura1 |
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13:30-15:05
| 4P097 | Exploration of self-assembly structures of barbiturate derivatives (Institute of Pure and Applied Sciences, Univ. Tsukuba1,CCS, Univ. Tsukuba2) *Kazuki Okazawa1, Yasuteru Shigeta2 |
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13:30-15:05
| 4P098 | Proposal of a gradient-corrected polarizable continuum model and its evaluation (Graduate School of Science and Technology, Univ. Tsukuba1,Graduate School of Informatics, Nagoya Univ.2) *Yuki Kanamaru1, Norio Yoshida2, Toru Matsui1 |
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13:30-15:05
| 4P099 | Evaluation of UFx (x = 2, 4) excitation energy calculations using exact 2-component-CASSCF-CASPT2 method (Grad. Sch. Adv. Sci. Eng., Hiroshima Univ.1,Applied Physics & Chemical Engineering TUAT2) *Koumi Nakagawa1, Minori Abe2 |
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13:30-15:05
| 4P100 | Nuclear quantum effects in the search for synthetic reaction pathways of interstellar molecules (Gifu Univ.1,DIC2,WPI-ICReDD3,Hokkaido Univ.4,Yokohama City Univ.5) *Hinata Nagasaka1, Kimichi Suzuki2, Masanari Natsume1, Satoshi Maeda3,4, Masanori Tachikawa5, Taro Udagawa1 |
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13:30-15:05
| 4P101 | Development of a cscf-mp2 method and its validation for intramolecular charge transfer (Graduate School of Science and Technology, Univ. of Tsukuba1,Graduate School of Science, Hokkaido Univ.2,WPI-ICReDD, Hokkaido Univ.3) *Shohei Osaki1, Masato Kobayashi2,3, Toru Matsui1 |
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13:30-15:05
| 4P102 | Effectiveness and Analysis of 3D Descriptors in Machine Learning Prediction of Anticancer Activity (Graduation School of Advanced Science and Engineering, Waseda University) *Thi hoang yen Bui, Takeshi Kaneko, Kanta Masuda, Yuya Nakajima, Koshi Machida, Junji Seino |
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