Friday, September 15
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.
Venue P
[Gas phase]
13:30-15:10
| 4P001 | Photodissociation dynamics of sulfuric acid on the electronically excited state, S3 (Graduate School of Science and Technology, Sophia Univ.) *Mingchen Chen, Shinkoh Nanbu |
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13:30-15:10
| 4P002 | Direct UV Absorption of Carbon Dioxide Cations in Solid Neon (NSRRC1,Department of Applied Chemistry, NYCU2) *Yu-jong Wu1,2, Wen-jian Huang1, Sheng-lung Chou1, Shu-yu Lin2 |
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13:30-15:10
| 4P003 | Absolute cross sections of thermalized methyl vinyl ketone oxide (MVKO) and methacrolein oxide (MACRO) have been measured (Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan.1,Department of Chemistry, National Taiwan University, Taipei 10617, Taiwan2) *Yen-hsiu Lin1,2, Kaito Takahashi1, Jim, jr-min Lin1,2 |
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13:30-15:10
| 4P004 | Photoreaction mechanism of ozone-carbon disulfide complex (Graduate School of BASE,Noko Univ.) *Akira Matsushima |
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13:30-15:10
| 4P005 | Photodissociation imaging study of halothane (CF3CHBrCl) at 206/234 nm (2-color) and 234 nm (1-color) (IAGE, Hokkaido Univ.1,Grad. School of Sci., Osaka Univ.2,Grad. School of Sci., Tokyo Insti. of Tech.3,Grad. School of Sci., National Taiwan Univ.4) *Hiroshi Kawamata1, Dock-chil Che2, Masaaki Nakamura3, Toshio Kasai4 |
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13:30-15:10
| 4P006 | Deuterium substitution effects on the microscopic hydrogen bonding structure of hydrated phenol cations (Graduate School of Science, Kitasato University1,School of Science, Kitasato University2) *Yu Sakaue1, Masatoshi Moto1, Kenta Mizuse2, Haruki Ishikawa2 |
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13:30-15:10
| 4P007 | Fluorescence spectrum of 2-(4-aminophenyl)ethanol by supersonic jet spectroscopy (Graduate School of science and Engineering, Aoyama Gakuin Univ.) *Sakuya Ogawa, Wataru Kashihara, Tadashi Suzuki |
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13:30-15:10
| 4P008 | Substituent effects on intramolecular proton transfer in protonated aminobenzoic acid studied by ion mobility-mass spectrometry (Graduate School of Science, Tohoku Univ.) Keijiro Ohshimo, Daiki Fuse, Kengo Tsunoda, Ryosuke Ito, Manabu Kanno, *Fuminori Misaizu |
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13:30-15:10
| 4P009 | Strength in the π-electron conjugation of phenylethynyl compounds spectroscopically determined: 1,4-diphenylbutadiyne and 1,4-bis(phenylethynyl)benzene (Graduate School of Engineering, Nihon Univ.1,college of engineering, Nihon Univ.2) *Ryoko Suzuki1, Kohei Chiba1, Katsuhiko Okuyama2 |
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13:30-15:10
| 4P010 | Multi-quantum excitation and generation of rotational wave packets of CO2 molecules with infrared femtosecond pulses (IIS, The Univ. of Tokyo) *Hiroki Tsusaka, Ikki Morichika, Satoshi Ashihara |
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13:30-15:10
| 4P011 | Development of matrix product representation for high-dimensional grid-based potential energy surface (Graduate School of Science, Kyoto Univ.) *Kentaro Hino, Yuki Kurashige |
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13:30-15:10
| 4P012 | Temperature dependence of branching fraction in intramolecular [6+4]/[4+2]-cycloaddition reaction using molecular dynamics simulations and machine-learning technique (Faculty of Science, Saitama Univ.1,Graduate School of Science and Engineering, Saitama Univ.2,Faculty of Science and Technology, Sophia Univ.3) *Daiki Hayashi1, Tatsuhiro Murakami2,3, Shunichi Ibuki2, Toshiyuki Takayanagi1,2 |
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13:30-15:10
| 4P013 | Structural analysis of pseudo-rotaxane formed by chain amine and crown ethers using ion mobility-mass spectrometry (Graduate School of Science, Tohoku Univ.) *Kengo Tsunoda, Keijiro Ohshimo, Fuminori Misaizu |
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13:30-15:10
| 4P014 | Observation of hemibond formation in [H2O-Xn]+ (X = N2O, Ar) radical cation clusters by electronic spectroscopy (Graduate School of Science, Tohoku Univ.) *Mizuhiro Kominato, Asuka Fujii |
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13:30-15:10
| 4P015 | Bifurcation Dynamics of Intramolecular Diels-Alder Cycloaddition Reactions Using Machine Learning Analysis (Graduate School of Science and Engineering, Saitama Univ.1,Faculty of Science and Technology, Sophia Univ.2) *Shunichi Ibuki1, Tatsuhiro Murakami1,2, Toshiyuki Takayanagi1 |
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[Solid phase]
13:30-15:10
| 4P016 | Magnetic impurity in quantum spin liquid candidate κ-(ET)2Cu[Au(CN)2]Cl (Graduate School of Science, Kyoto Univ.1,Graduate School of Science, Nagoya Univ.2) *Yuki Tanaka1, Mitsuhiko Maesato1, Shinya Tomeno1, Yukihiro Yoshida1, Yasuhiro Shimizu2, Hiroshi Kitagawa1 |
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13:30-15:10
| 4P017 | Structure, properties of new Tomonaga-Luttinger liquid, δ-(BEDT-TTF)2(1-Naphthalenesulfonate) (Graduate School of Science, Osaka Univ.) *Naoki Kuwahara, Hiroki Akutsu, Yasuhiro Nakazawa |
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13:30-15:10
| 4P018 | Relationship between crystal and band structures of a new Charge-Transfer salt α'-STF2IBr2 (Graduate School of Science and Engineering, Ehime Univ.1,Faculty of Science Department of Physics, Toho University2) *Koki Funatsu1, Toshio Naito1, Ryuhei Oka1, Naoya Tajima2 |
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13:30-15:10
| 4P019 | Detection of current-induced crystal structure change in ion radical crystal of cyclophane type donor (Graduate School of Science, Nagoya Univ.) *Daichi Shiraki, Michio Matsushita, Kunio Awaga |
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13:30-15:10
| 4P020 | Crystal Structures Based on Cation Radicals of Square-Planar Palladium(Ⅱ)-Dithiolene Complexes with Various Anions and Their Effects on the Molecular Arrangements (Graduate School of Science, University of Hyogo) *Satomi Mochizuki, Tomohiro Agou, Kazuya Kubo |
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13:30-15:10
| 4P021 | Preparation and Physical Properties of Proton-Transferred Salts Based on Octaaminotetraphenylene (Graduate School of Engineering, Tohoku University1,Faculty of Science, Shinshu University2,IMRAM, Tohoku University3) *Mu Li1, Takashi Takeda2, Shun Dekura1,3, Tomoyuki Akutagawa1,3 |
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13:30-15:10
| 4P022 | Elucidation of mechanism of anhydrous superprotonic conductivity in 1,2,3-triazolium dihydrogen phosphate single crystal by first-principles calculation (ISSP, The Univ. of Tokyo1,Graduate School of Engineering, Tohoku Univ.2,IMRAM, Tohoku Univ.3,BCCS, Univ. of Tsukuba4) *Kaito Nishioka1, Shun Dekura2,3, Yuta Hori4, Yasuteru Shigeta4, Hatsumi Mori1 |
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13:30-15:10
| 4P023 | Synthesis of covalent organic frameworks including polyethylene oxide chains and their high magnesium ion conductivity under absence of guest vapors (Graduate School of Science, Tokyo University of Science) *Akinori Mohri, Masaaki Sadakiyo |
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13:30-15:10
| 4P024 | Crystal structure of the low temperature phase in galvinoxyl radical with ferromagnetic-antiferromagnetic interactions (Nagoya Univ.1,JST PRESTO2,Univ. of Edinburgh3) Rie Suizu1,2, Mohammed shajad-zain Khawar3, Yoshiaki Shuku1, *Kunio Awaga1 |
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13:30-15:10
| 4P025 | Magnetic property of [M4(OH)4]4+ cubane clusters grown in single crystals of metal complexes with l-cysteine (Graduate School of Science, Osaka Univ.1,National Taiwan Normal Univ.2) *Renya Uenaka1, Raphepraew Sodkhomkhum1, Takumi Konno1,2, Nobuto Yoshinari1 |
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13:30-15:10
| 4P026 | Synthesis and Characterization of the Ni complexes with Azobisphenolate Ligands with Electron-Donating Substituents (Graduate School of Science, Kobe University1,Research Facility Center for Science and Technology, Kobe University2,Molecular Photoscience Research Center, Kobe University3) *Taisei Kasazaki1, Takahiro Sakurai2, Hitoshi Ohta3, Kazuyuki Takahashi1 |
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13:30-15:10
| 4P027 | Theoretical studies on electronic properties and magnetic interactions in trinuclear Mn complex as strongly correlated electron system (RIKEN R-CCS1,Osaka Univ.2,Univ. Tsukuba3,Osaka Univ.4) *Takashi Kawakami1,2, Koichi Miyagawa3, Shusuke Yamanaka2, Mitsutaka Okumura2, Takahito Nakajima1, Kizashi Yamaguchi1,4 |
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[Surface/Interface]
13:30-15:10
| 4P028 | Molecular dynamics study on the structures of the dry polymer brush composed of polyethylene or polyethylene glycol (Graduate School of Science and Engineering, University of Toyama) *Nanaka Yamamoto, Tatsuya Ishiyama |
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13:30-15:10
| 4P029 | Tip-enhanced vibrational sum frequency generation spectroscopy of an adsorbed molecule on a metallic surface in an ambient condition (Institute for Molecular Science1,The Graduate University for Advanced Studies, SOKENDAI2) *Tatsuto Mochizuki1,2, Shota Takahashi1, Atsunori Sakurai1,2, Toshiki Sugimoto1,2 |
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13:30-15:10
| 4P030 | Development of ultra-broadband vibrational sum-frequency generation spectroscopy (Graduate School of Science, Univ. Tokyo1,ISSP, Univ. Tokyo2) *Risako Kameyama1,2, Shunsuke Tanaka2, Yuta Murotani2, Takuya Matsuda2, Natsuki Kanda2, Ryusuke Matsunaga2, Jun Yoshinobu2 |
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13:30-15:10
| 4P031 | Ion desorption by inner-shell resonance excitation in biphenyl monolayers (Graduate School of Advanced Science and Engineering, Hiroshima University1,Photon Factory, Institute of Materials Structure Science, KEK2,Hiroshima Synchrotron Radiation Center, Hiroshima University3) *Kakuto Yoshioka1, Akinobu Niozu1, Shogo Tendo1, Jun-ichi Adachi2, Hirokazu Tanaka2, Shin-ichi Wada1,3 |
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13:30-15:10
| 4P032 | IV-SFG studies on the air / deep eutectic solvent interface for selective extraction of metals (Department of Materials Science and Engineering, Tokyo Institute of Techology) *Lingen Guo, Takashi Iwahashi, Yukio Ouchi |
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13:30-15:10
| 4P033 | Experimental and theoretical surface SFG spectroscopy of acetonitrile–water mixtures (Graduate School of Science and Engineering, Saitama Univ.) *Tetsuyuki Takayama, Takuhiro Otosu, Shoichi Yamaguchi |
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13:30-15:10
| 4P034 | Molecular dynamics study on the surface structure of alcohol-water mixture: Dependency of force field (Graduate School of Science and Engineering, University of Toyama) *Mayu Hirose, Tatsuya Ishiyama |
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13:30-15:10
| 4P035 | All-atom MD analysis of adsorption of additives on pharmaceutical crystal surfaces (Graduate School of Engineering Science, Osaka University) *Teppei Matsumura, Kento Kasahara, Nobuyuki Matubayasi |
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13:30-15:10
| 4P036 | Vibrational Insights into Molecular Structure Fluctuations at Co-adsorbed Interfaces (Institute for Molecular Science1,The Graduate University for Advanced Studies (SOKENDAI)2) *Nobuaki Oyamada1, Chengxiang Jin1,2, Atsunori Sakurai1,2, Toshiki Sugimoto1,2 |
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13:30-15:10
| 4P037 | Experimental and theoretical Raman spectroscopy of ice Ih, II, III, VI, and VII (Graduate School of Science and Engineering, Saitama Univ.) *Rie Oishi, Tetsuyuki Takayama, Takuhiro Otosu, Shoichi Yamaguchi |
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[Biomolecules]
13:30-15:10
| 4P038 | Machine learning-based prediction of site of Aldehyde oxidase mediated metabolism (Graduate School of Information Sciences, Hiroshima City Univ.) *Yuto Shiotake, Toru Saito |
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13:30-15:10
| 4P039 | Analysis of molecular crowding effects on microsecond dynamics of hairpin DNA by fluorescence lifetime correlation spectroscopy (Graduate School of Science and Engineering, Saitama Univ.) *Taisei Miyake, Miyuki Sakaguchi, Takuhiro Otosu, Shoichi Yamaguchi |
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13:30-15:10
| 4P040 | Correlation between Distortion and Hydrogen-Bond Strength in the Retinal Chromophore of Schizorhodopsins (Department of Chemistry, Osaka Univ.1,Graduate School of Science, The Tokyo Univ.2,Department of Life Science and Applied Chemistry, Nagoya Institute of Technology3) *Taito Urui1, Tomomi Shionoya1, Misao Mizuno1, Keiichi Inoue2, Hideki Kandori3, Yasuhisa Mizutani1 |
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13:30-15:10
| 4P041 | Label-free sensing of intracellular temperature changes during neuronal differentiation by Raman microscopy (Faculty of Pharmaceutical Sciences, Tohoku University1,Graduate School of Pharmaceutical Sciences, Tohoku University2,JST PRESTO3) *Ohsuke Irikura1, Takuya Hatamoto2, Hiroaki Takahashi2, Shinji Kajimoto1,2,3, Takakazu Nakabayashi1,2 |
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13:30-15:10
| 4P042 | Mutagenesis in methylated DNA: a quantum chemical insight via Through-space/bond orbital interaction analysis (Faculty of Engineering Sciences, Kyushu Univ.) Mariia Ivonina, Yuuichi Orimoto, *Yuriko Aoki |
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13:30-15:10
| 4P043 | Thermodynamic analysis of the isomeric composition of cholestane (Graduate School of Engineering, Kyoto Univ.1,Fukui Institute for Fundamental Chemistry, Kyoto Univ.2,Faculty of Science, Yamaguchi Univ.3) *Yuki Nukumi1, Hirofumi Sato1,2, Ryosuke Saito3, Masahiro Higashi1 |
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13:30-15:10
| 4P044 | Temperature measurement of fission yeast spores by Stokes and anti-Stokes Raman microspectroscopy (Graduate School of Science and Technology, Kwansei Gakuin Univ.) *Rin Miyasaka, Shinsuke Shigeto |
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13:30-15:10
| 4P045 | Molecular dynamics simulation on permeability of POPC lipid bilayers under external electric field (Faculty of Science and Technology, Oita University1,Faculty of Systems Design, Tokyo Metropolitan University2,Faculty of Engineering, Chiba Institute of Technology3) *Kosuke Tachibana1, Yuta Iwata2, Kosuke Takami2, Ippei Yagi2, Akinori Oda3, Satoshi Uchida2 |
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13:30-15:10
| 4P046 | Infrared spectroscopic study of photointermediate of jellyfish rhodopsin (Graduate School of Engineering, Nagoya Inst. Tech.1,Graduate School of Science, Osaka Metro. Univ.2) *Shino Inukai1, Kota Katayama1, Mitsumasa Koyanagi2, Akihisa Terakita2, Hideki Kandori1 |
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13:30-15:10
| 4P047 | pH-dependent conformational changes of peptides with multi-protonated moieties: Comparison of the configuration-selection constant pH (CS-CpH) method and the molecular dynamics method with fixed protonated states (Graduate School of Informatics, Nagoya Univ.1,School of Engineering, Shizuoka Univ.2,FV-CRC, Nagoya Univ. / Future Value Creation Research Center, Nagoya Univ.3) *Fuka Inagaki1, Yukichi Kitamura2, Haruka Yotsuya1, Masataka Nagaoka1,3 |
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13:30-15:10
| 4P048 | Investigation of temperature dependence of excited states of double-stranded DNA by picosecond time-resolved fluorescence spectroscopy (Faculty of Science Gakushuin Univ) *Ryo Shinohara, Akira Takakado, Koichi Iwata |
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[Liquid phase]
13:30-15:10
| 4P049 | Intermolecular dynamics of mononucleotides in aqueous solution: Effects of sugar and base (Department of Chemistry, Chiba Univ.) *Masako Shimizu, Hideaki Shirota |
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13:30-15:10
| 4P050 | Excitation wavelength dependence of excited-state proton transfer reaction of 6-hydroxyquinoline (Graduate school of Science and Engineering, Doshisha Univ.1,Faculty of Science and Engineering, Doshisha Univ.2,AIST3) *Kakeru Ise1, Chihiro Matsumura1, Kaori Fujii3, Takatsugu Endo2, Yoshifumi Kimura1 |
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13:30-15:10
| 4P051 | Excited triplet decay of the inclusion complexes of 1-chloronaphthalene/6-O-α-D-Maltosyl-β-Cyclodextrin/third component in aqueous solution (Grad. Sch. Arts & Sci., Iwate Univ.) *Shiho Kawahara, Hitoshi Yashiro, Eiichi Suzuki |
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13:30-15:10
| 4P052 | Development of a highly sensitive measurement method for circular dichroism using spatial separation of polarization (Graduate School of Science, Osaka City University1,Graduate School of Science, Osaka Metropolitan University2) *Mio Harada1, Tomoyuki Yatsuhashi2, Kenji Sakota2 |
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13:30-15:10
| 4P053 | Diffusion dynamics of electron ejected by photoionization in solution: relation with the fluctuation of the solvent (Graduate School of Engineering Science, Osaka Univ.) *Yuya Hirata, Tomoya Sawada, Hikaru Sotome, Hiroshi Miyasaka |
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13:30-15:10
| 4P054 | Excited-state dynamics and its solvent dependence in donor-acceptor type thermally activated delayed fluorescence molecules (Faculty of Science, Kyushu Univ.1,OPERA, Kyushu Univ.2,School of Physics and Astronomy, St Andrews Univ.3) *Tomohiro Ryu1, Masaki Saigo1, Kiyoshi Miyata1, Youichi Tsuchiya2, Hajime Nakanotani2, Arvydas Ruseckas3, Ifor Samuel3, Chihaya Adachi2, Ken Onda1 |
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13:30-15:10
| 4P055 | Attempt for observing solvated electrons by time-resolved visible absorption spectroscopy in nanosecond to millisecond range (Fac. Science, Gakushuin Univ.) *Kazuma Takizawa, Akira Takakado, Koichi Iwata |
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13:30-15:10
| 4P056 | Structure and dynamics of liquid water detected by machine learning (School of Materials Science, JAIST1,School of Knowledge Science, JAIST2,HPC systems Inc3) *Taku Mizukami1, Viet cuong Nguyen2,3, Hieu chi Dam2 |
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13:30-15:10
| 4P057 | Ethanol coordination structure and absorption spectrum of p-chloranil in a mixed solution (Graduate School of Science, Yamagata Univ.1,Graduate School of Science,The Univ. of Tokyo2) *Sakuya Nakagawa1, Hirotaka Inoue2, Hongyao Zhou2, Teppei Yamada2, Hideo Ando1 |
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[Clusters/particles/nanostructures]
13:30-15:10
| 4P058 | Analysis of reaction pathways in self-assembly of a caged dinuclear palladium complex (Graduate School of Engineering, Kyoto University.1,Fukui Institute for Fundamental Chemistry, Kyoto University.2) *Yudai Ichikawa1, Masahiro Higashi1, Hirofumi Sato1,2 |
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13:30-15:10
| 4P059 | Density functional theory calculations on adsorption ability of imogolite tubes to perfluoro compound PFC (Kyoto Institute of Technology) *Taika Murai, Takashi Yumura, Shuta Fukuura |
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13:30-15:10
| 4P060 | Cluster connections by diyne bridging ligands (Graduate School of Science, Tokyo Univ. of Science.) *Taiga Kosaka, Yoshiki Niihori, Yuichi Negishi |
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13:30-15:10
| 4P061 | Size-controlled synthesis of gold nanotriangles and their purification via flocculation and subsequent precipitate technic (Department of Chemistry,Toho University) *Ryuichi Yamada, Syota Kuwahara |
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13:30-15:10
| 4P062 | Photoelectron imaging of silver cluster anions doped with an atom of group 3 and 13 metals: Exploration of electronic and geometric structures (Graduate School of Science, Kyushu Univ.) *Rin Nomi, Haruki Hashimoto, Tasuku Nishizato, Kazuaki Matsumoto, Yuta Suzuki, Masashi Arakawa, Takuya Horio, Akira Terasaki |
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13:30-15:10
| 4P063 | Photophysical properties of Au13 nanoclusters with triplet reservoir ligands (Graduate School of Science, Rikkyo Univ.1,Graduate School of Science, Shizuoka Univ.2) *Kouta Yoshida1, Daichi Arima1, Ryuichi Oyaizu2, Kenji Kobayashi2, Masaaki Mitsui1 |
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13:30-15:10
| 4P064 | Reaction products of hydrogen and rhodium clusters investigated by thermal desorption spectrometry in the gas phase (Graduate School of Arts and Sci., Univ. Tokyo) *Hayato Kurashita, Yangkun Wu, Satoshi Kudoh, Toshiaki Nagata, Ken Miyajima, Fumitaka Mafune |
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13:30-15:10
| 4P065 | Observation of biomolecular adsorption process on the droplet interface by millisecond time-resolved fluorescence spectroscopy (Department of Chemistry, Gakushuin University) *Taka Kurasawa, Kenichi Okutsu, Jun-ya Kohno |
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13:30-15:10
| 4P066 | Synthesis and Elementary Exciton Dynamics of CdxZn1-xSe Nanoplatelets (Graduate School of Science and Technology, Kwansei Gakuin Univ.) *Junseo Lee, Lee Wang, Daichi Eguchi, Naoto Tamai |
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[Theory/Calculation]
13:30-15:10
| 4P067 | Theoretical study of ZIP8 protein based on statistical mechanics theory of liquids (Center for Computational Science, Univ. of Tsukuba) *Ryo Fujiki, Yasuteru Shigeta |
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13:30-15:10
| 4P068 | [Withdraw] |
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13:30-15:10
| 4P069 | Comparison of β turn stabilities of L-Pro-Gly and D-Pro-Gly residues by using replica-exchange molecular dynamics simulations (OMU1,RIMED2) *Takaharu Katsu1, Yuki Mitsuta1,2, Toshio Asada1,2 |
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13:30-15:10
| 4P070 | Application of the energy represented diffusion equation theory to the solvation dynamics in molecular liquids (Graduate School of Engineering Science, Osaka Univ.) *Kazuya Okita, Kento Kasahara, Nobuyuki Matubayasi |
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13:30-15:10
| 4P071 | Analysis of membrane permeability of piracetam by using a free energy reaction route network method (Graduate School of Science, OMU1,RIMED, OMU2) *Yoshiki Hida1,2, Yuki Mitsuta1,2, Toshio Asada1,2 |
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13:30-15:10
| 4P072 | All-atom analysis of the effect of co-solvent addition on molecular association (Graduate School of Engineering Science, Osaka Univ.) *Yuka Hamada, Naoki Komiya, Kento Kasahara, Nobuyuki Matubayasi |
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13:30-15:10
| 4P073 | Evaluation of interatomic potential and atomic charges of electrolyte by neural network (Graduate School of Engineering, UTokyo) *Daiki Asada, Tatsushi Ikeda, Koki Muraoka, Akira Nakayama |
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13:30-15:10
| 4P074 | Ionic conductivity in the solid electrolyte interphase film of the Li-ion battery during charging and discharging processes:3D-RISM and Q-learning analysis (Graduate School of Informatics, Nagoya University1,School of Informatics, Nagoya University2,Future Value Creation Research Center, Nagoya University3) *Yuki Shirasawa1, Shunsuke Kamo2, Tomoyuki Kawase1, Yuichi Tanaka1, Norio Yoshida1, Masataka Nagaoka1,3 |
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13:30-15:10
| 4P075 | Long-range electrostatic interactions: Comparison between water and the lattice-spin system (National Institutes for Quantum Science and Technology) *Yoshiteru Yonetani |
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13:30-15:10
| 4P076 | Analysis of solvent electrostatic potential described by solvation models in charged systems (Graduate School of Science and Technology, Univ. of Tsukuba) *Yuki Kanamaru, Toru Matsui |
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13:30-15:10
| 4P077 | Elucidation of femtosecond photoelectron reaction process triggered by X-ray free electron lasers by ab initio molecular dynamics simulations (Graduate School of Science, Tohoku Univ.1,RIKEN2,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University3) *Zhanglei Gao1, Kiyofumi Takaba2, Koji Yonekura2,3, Naoki Kishimoto1,3 |
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13:30-15:10
| 4P078 | Simulating electronic state calculation with qubits in a NV center by optimal control theory (Graduate School of Science, Tohoku Univ.) *Suicho Mikami, Yukiyoshi Ohtsuki |
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13:30-15:10
| 4P079 | Quantum computing of orbital energies of π-conjugated and hetero-π-conjugated molecules (School of Science, The University of Tokyo) *Ryuhei Yoshida, Erik Lötstedt, Kaoru Yamanouchi |
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13:30-15:10
| 4P080 | Real-space quantum dynamics simulation for NISQ devices (Grad. Sch. Sci., Univ. Tokyo) *Kazuki Tsuoka, Erik Lotstedt, Kaoru Yamanouchi |
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13:30-15:10
| 4P081 | Quantum computing of light-induced rotational wave-packet dynamics of diatomic molecules (The University of Tokyo) *Kotomi Tobinaga, Erik Lötstedt, Kaoru Yamanouchi |
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13:30-15:10
| 4P082 | A Solution to the Conflict between Spin-model and Oxidation Number of N2 complexes in the First-Transition Series for understanding reactivity (Nagoya Inst. Tech.1,Gifu Univ.2,Aichi Inst. Tech.3) *Yuko Wasada-tsutsui1, Hiroaki Wasada2, Yoshiaki Kokubo3, Hideki Masuda3,1, Yuji Kajita3 |
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13:30-15:10
| 4P083 | Theoretical study on the effect of substituent introduction in fac-Ir(ppy)3 complexes on phosphorescence energy (Graduate School of Engineering Science, Osaka Univ.1,QIQB, Osaka Univ.2,RCSEC, Osaka Univ.3,ICS-OTRI, Osaka Univ.4,SRN-OTRI, Osaka Univ.5) *Naoya Nakayama1, Yasutaka Kitagawa1,2,3,4,5, Ryouhei Kishi1,2,3,4 |
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13:30-15:10
| 4P084 | Theoretical analysis of proton-coupled electron transfer reactions in molecular triads using molecular dividing method and potential-crossing region search (Grad. School of Chem. Sci. and Eng., Hokkaido Univ.1,Department of Chemistry, Faculty of Science, Hokkaido Univ.2,ICReDD, Hokkaido Univ.3,JST-ERATO4,NIMS5) *Akihiro Mutsuji1, Satoshi Maeda2,3,4,5 |
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13:30-15:10
| 4P085 | Theoretical study on the structures and electronic states of covalently-linked bis-periazulenes (Graduate School of Engineering Science, Osaka University1,QIQB, Osaka University2,ICS-OTRI, Osaka University3,RCSEC, Osaka University4,SRN-OTRI, Osaka University5) *Kaichi Shimada1, Ryohei Kishi1,2,3,4, Yasutaka Kitagawa1,2,3,4,5 |
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13:30-15:10
| 4P086 | Theoretical study on relationship between electronic structure and magnetic anisotropy in cobalt(II) single-ion magnets (Graduate School of Engineering Science, Osaka Univ1,QIQB, Osaka Univ.2,RCSEC, Osaka Univ3,ICS-OTRI, Osaka Univ4,SRN-OTRI, Osaka Univ.5) *Masahiro Tsuda1, Koki Masuda1, Naoka Amamizu1, Keisuke Sasaki1, Yuta Hayashi1, Mitsuhiro Nishida1, Kazuki Honjo1, Naoya Nakayama1, Yasutaka Kitagawa1,2,3,4,5, Ryohei Kishi1,2,3,4 |
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13:30-15:10
| 4P087 | Theoretical study on the substituent effect in Dy complexes for the design of single molecule magnets. (Graduate School of Engineering Science, Osaka University1,QIQB, Osaka University2,RCSEC, Osaka University3,ICS, Osaka University4,SRN, Osaka University5) *Koki Masuda1, Masahiro Tsuda1, Ryohei Kishi1,2,3,4, Yasutaka Kitagawa1,2,3,4,5 |
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13:30-15:10
| 4P088 | Quantitative evaluation of nonlinear Raman amplification processes (Graduate School of Science, Kyushu Univ) *Atsuki Oda, Ryosuke Oketani, Hideaki Kano |
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13:30-15:10
| 4P089 | Calculation of orbital levels of polymers used as materials for organic photovoltaic semiconductors using long-range corrected density functional theory (Graduate School of Science and Technology, University of Tsukuba) *Shingo Harada, Toru Matsui |
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13:30-15:10
| 4P090 | Theoretical study on open-shell electronic structures of germylene complexes with phenalenyl-type ligands (Graduate School of Engineering Science, Osaka Univ.1,QIQB, Osaka Univ.2,ICS-OTRI, Osaka Univ.3,RCSEC, Osaka Univ.4,SRN-OTRI, Osaka Univ.5,Graduate School of Engineering, Osaka Univ.6) *Chihiro Nakasuji1, Ryohei Kishi1,2,3,4, Yasutaka Kitagawa1,2,3,4,5, Kenta Uchida6, Takuya Kodama3,6, Mamoru Tobisu3,6 |
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13:30-15:10
| 4P091 | [Withdraw] |
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13:30-15:10
| 4P092 | Theoretical studies on control of structures and electronic states in π-extended systems of pentalene (Graduate School of Engineering Science, Osaka Univ1,QIQB2,ICS-OTRI3,RCSEC4,CSRN5) *Seiya Tsuchida1, Ryota Sugimori1, Ryohei Kishi1,2,3,4, Yasutaka Kitagawa1,2,3,4,5 |
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