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ID：molsci2019 PASS：pY4ZX-BlsGw1
Thursday, September 19 (15:40 - 17:20)
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
| 15:40-17:20 | 3P001 | Reassessment of the n17 band of isoprene (AIST) *Fumiyuki Ito |
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| 15:40-17:20 | 3P002 | Visible and ultraviolet photodissociation processes of water-oxygen molecular complex ion studied by ion imaging technique (Graduate School of Science, Tohoku Univ.) *Yuji Nakashima, Yuri Ito, Kenichi Okutsu, Motoyoshi Nakano, Fuminori Misaizu |
| 15:40-17:20 | 3P003 | Detection of vibronic bands of thiophenoxy radical by sensitive absorption spectroscopy (Graduate School of Science,Tokyo University of Science) *Haruka Sato, Mayu Negishi, Mitsunori Araki, Takahiro Oyama, Koichi Tsukiyama |
| 15:40-17:20 | 3P004 | Re-analysis of perturbations in the A1Πu state of dicarbon (Graduate School of Arts and Sciences, The University of Tokyo) *Masakazu Nakajima |
| 15:40-17:20 | 3P005 | Dissociative ionization of O2 via B2Σg- and 32Πu states of O2+ induced by intense XUV attosecond pulse trains (School of Science, The Univ. of Tokyo1,RAP, RIKEN2) *Shinichi Fukahori1,2, Takuya Matsubara1,2, Yasuo Nabekawa2, Kaoru Yamanouchi1, Katsumi Midorikawa2 |
| 15:40-17:20 | 3P006 | Quantum chemistry calculation and spectroscopic accuracy of the perpendicular-barrier height in the large-amplitude torsional potential of p-chromophore single-bond bridged compounds (Graduate School of Engineering,Nihon University) *Yudai Suzuki, Katsuhiko Okuyama |
| 15:40-17:20 | 3P007 | Analysis of copropagating double resonance spectrum by considering the hyperfine structure of I2 (Tokyo Institute of Tech.) *Hidekazu Muramatsu, Hideto Kanamori |
| 15:40-17:20 | 3P008 | Photoreaction mechanism of ozone-thiazolidine complex induced by visible light (BASE, TUAT) *Asami Kon, Kentaro Kamata, Nobuyuki Akai |
| 15:40-17:20 | 3P009 | OH stretching transition moment direction for X..OHD, X=H2O, CH3OH, Na+, Li+ (IAMS, Academia Sinica) *Kaito Takahashi |
| 15:40-17:20 | 3P010 | Benzene sites and electronic structures of benzo-crown ether complexes with alkali metal ion. (Graduate School of Science, Hiroshima Univ.1,National Chiao Tung University.2) *Tomoyuki Ujihira1, Motoki Kida1, Daisuke Shimoyama1, Satoru Muramatsu1, Takeharu Haino1, Takayuki Ebata1,2, Yoshiya Inokuchi1 |
| 15:40-17:20 | 3P011 | Metal-π interaction in the gas-phase copper−benzene cation complex studied by photodissociation spectroscopy (Graduate School of Science, Kitasato Univ.1,School of Science, Kitasato Univ.2) *Kazuki Imajo1, Haruki Ishikawa2 |
| 15:40-17:20 | 3P012 | Coulomb explosion of metal ions in manganese binuclear complex (Graduate School of Science, Osaka City Univ.) *Tomoyuki Yatsuhashi, Takuya Matsumoto, Hiroki Tanaka, Nobuaki Nakashima |
| 15:40-17:20 | 3P013 | Electron spectrum of phenylisocyanate derivative (Graduate School of Engineering,Nihon Univ1,College of Engineering,Nihon Univ2) *Daisuke Sato1, Katsuhiko Okuyama2, Takenori Noda1, Naoki Kubozono1 |
| 15:40-17:20 | 3P014 | Cold ion trap laser spectroscopy of hydrated clusters of protonated adrenaline – hydration effect on conformation– (Laboratory for Chemistry and Life Science, Tokyo Tech1,School of Life Science and Technology, Tokyo Institute of Technology2) *Sohichiroh Mitsui2,1, Shun Kagaya2,1, Shun-ichi Ishiuchi1, Masaaki Fujii1, Keisuke Hirata1 |
| 15:40-17:20 | 3P015 | Gas phase CD spectroscopy of albumin ion observed by photoelectron detachment yield (Graduate school of Chemistry Gakushuin Univ.1,Department of Chemistry Gakushuin Univ.2) *Akihiro Kitazaki1, Hiroya Asami2, Jun-ya Kohno1,2 |
| 15:40-17:20 | 3P016 | Conformational isomers and vibrational analysis of electronic spectra of 1,2-diphenylethane (Graduate School of Engineering,Nihon Univ.1,College of Engineering,Nihon Univ.2) *Hayato Otsuka1, Naoki Kubozono1, Takenori Noda1, Katsuhiko Okuyama2 |
| 15:40-17:20 | 3P017 | Laser spectroscopic study of laser ablated cinnamic acids and their hydrogen bonded clusters– Effect of hydrogen-bond on nonradiative decay (Graduate School of Science, Hiroshima Univ.1,National Chiao Tung Univ.2) *Yuji Iida1, Seiya Kenjo1, Shin-nosuke Kinoshita1, Satoru Muramatsu1, Yoshiya Inokuchi1, Takayuki Ebata1,2 |
| 15:40-17:20 | 3P018 | Asymmetric fragmentation of CH4 in phase-locked two-color intense laser fields (Grad. Sch. Science, Nagoya U1,RCMS, Nagoya U2) *Hiroka Hasegawa1, Hikaru Fujise1, Akitaka Matsuda1, Akiyoshi Hishikawa1,2 |
| 15:40-17:20 | 3P019 | The influence on CH stretching vibration by internal rotation of methyl group in 2-fluoro-3-methylpyridine (Graduate School of Science, Fukuoka Univ.) *Chihiro Futamura, Yuji Yamada, Yoshinori Nibu |
| 15:40-17:20 | 3P020 | Elucidation of Specific 6π-Electrocyclic Reaction Mechanism of a Dithiazolylarylene Derivative (Graduate School of Engineering Science, Osaka Univ.1,CNRS, UMR 8516, LASIR, Université de Lille2,Graduate School of Science and Technology, Nara Institute of Science and Technology3) *Tatsuhiro Nagasaka1, Hikaru Sotome1, Michel Sliwa2, Lucas Uriarte2, Tsuyoshi Kawai3, Hiroshi Miyasaka1 |
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| 15:40-17:20 | 3P021 | Photoreaction of ketoprofen studied by the transient grating technique (Graduate School of Science, Aoyama Gakuin Univ.) *Jumpei Takeyama, Wataru Kashihara, Tadashi Suzuki |
| 15:40-17:20 | 3P022 | Two-photon absorption properties of chlorodiphenylacetylenes by optical-probing photoacoustic spectroscopy (Graduate School of Science and Engineering, Aoyama Gakuin University1,Division of Natural Sciences, J. F. Oberlin University2) *Tetsuro Ishii1, Saki Ando1, Tasuku Isozaki2, Wataru Kashihara1, Tadashi Suzuki1 |
| 15:40-17:20 | 3P023 | Selective observation of multicolor multistep photoreaction process in multicolor laser excitation (Graduate School of Science, Kobe Univ.) *Yuuya Kishi, Akihide Wada |
| 15:40-17:20 | 3P024 | Synthesis and properties of 2,7-diazapyrenes and 2,9-diazaperopyrenes (Graduate School of Engineering, Nagoya University1,Graduate School of Engineering Kyoto University2) Takumi Nakazato1, Yasutaka Nakamura1, Takuto Kamatsuka1, Wakana Matsuda2, Tsuneaki Sakurai2, Shu Seki2, Hiroshi Shinokubo1, *Yoshihiro Miyake1 |
| 15:40-17:20 | 3P025 | Parallel crystallization from domains existing in an ionic liquid (Toyota Physical & Chemical Institute1,Graduate School of Science. Chiba Univ.2,AIMR, Tohoku Univ.3,Faculty of Education, Chiba Univ.4) *Keiko Nishikawa1, Kozo Fujii2, Kenta Nishiksato2, Yusuke Hashimoto3, Kenichi Tozaki4 |
| 15:40-17:20 | 3P026 | Keto-enol tautomerism and solution structure of 1,3-diketones as studied by infrared electroabsorption spectroscopy (Kwansei Gakuin Univ.) *Takayuki Hiraoka, Shinsuke Shigeto |
| 15:40-17:20 | 3P027 | Solvent dependence of electronic excited 1,1’-binaphthyl elucidated by near-infrared transient Raman spectroscopy (Graduate School of Science and Engineering, Aoyama Gakuin Univ.1,JST, PREST2) *Hiroki Sato1, Hajime Okajima1,2, Akira Sakamoto1 |
| 15:40-17:20 | 3P028 | Phase relaxation measurement by three-pulse photon echo of chlorophyll derivatives (Graduate School of Life Sciences, Ritsumeikan University) *Yuto Masaoka, Keita Sugihara, Yusuke Kinoshita, Yutaka Nagasawa, Hitoshi Tamiaki |
| 15:40-17:20 | 3P029 | Systematic understanding and control of the photo-chemical reaction dynamics of 3-hydoroxyflavone-derivatives in ionic liquids (Graduated School of Science and Engineering, Doshisha Univ.1,Faculty of science and engineering, Doshisha Univ.2,Faculty of Science, Niigata Univ.3) *Hanamichi Miyabayashi1, Kaori Fujii1, Yoshihiro Matano3, Takatsugu Endo2, Yoshifumi Kimura1,2 |
| 15:40-17:20 | 3P030 | Temperature dependence of frequency fluctuation of solute in aqueous solution studied by two-dimensional infrared spectroscopy (Graduate School of Science, Kobe Univ.1,Molecular Photoscience Research Center, Kobe Univ.2) *Yuki Fujii1, Masaki Okuda2, Kaoru Ohta2, Keisuke Tominaga1,2 |
| 15:40-17:20 | 3P031 | Tautomerization of indophenol blue: A study by transient absorption spectroscopy (Graduate school of Life Sciences,Ritsumeikan Univ.) *Tsubasa Hidaka, Keita Sugihara, Akifumi Matsumoto, Yutaka Nagasawa |
| 15:40-17:20 | 3P032 | Development and application of heat capacity measurements technique under pressure for molecular crystals (Graduate school of Science, Osaka Univ.1,Institute of Nuclear Physics, Polish Academy of Sciences2) *Tokichika Maruyama1, Tetsuya Nomoto1, Satoshi Yamashita1, Hiroki Akutsu1, Yasuhiro Nakazawa1, Tadeusz Wasiutynski2 |
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| 15:40-17:20 | 3P033 | Molecular arrangements and dynamics of cocrystals composed of 2-pyrrolidone and anilic acid derivatives with one-dimensional hydrogen-bonded networks (Graduate School of Science, Kyoto University1,Japan Synchrotron Radiation Research Institute2,Department of Chemistry, Faculty of Pure and Applied Sciences, University of Tsukuba3) *Masaki Donoshita1, Yukihiro Yoshida1, Mikihiro Hayashi1, Ryuichi Ikeda1, Shogo Kawaguchi2, Kunihisa Sugimoto2, Yasuhisa Yamamura3, Kazuya Saito3, Hiroshi Kitagawa1 |
| 15:40-17:20 | 3P034 | Proton conductivity on a tetramethylammonium ferrate with oxonium ion (Dept. Chemistry, Rikkyo Univ.1,Research Center for Smart Molecules, Rikkyo Univ.2) *Satoshi Iwasawa1, Rikako Tanaka1,2, Masakazu Morimoto1,2, Nobuyuki Matsushita1,2 |
| 15:40-17:20 | 3P035 | Polymophism and photo reactivity of charge transfer salt composed of tetracyanidoplatinate(II) and organic accepter (Dept. Chemistry, Rikkyo Univ.1,Research Center for Smart Molecules, Rikkyo Univ.2) *Tomoya Honma1, Nobuyuki Matsushita1,2 |
| 15:40-17:20 | 3P036 | Band structure and electrical and magnetic properties of alpha-STF2I3 (Graduate School of Science and Engineering, Ehime University1,Graduate School of Science, Nagoya University2) *Ryusei Doi1, Takashi Yamamoto1, Toshio Naito1, Yoshikazu Suzumura2 |
| 15:40-17:20 | 3P037 | Synthesis and properties of dinuclear Au complex with a molecular gear type ligand (Tokyo Univ. of Sci.1,Tokyo Inst. of Tech.2,Nagoya Inst. of Tech.3) *Hiroki Kan1, Koyo Obata1, Yoshihisa Sei2, Michito Yoshizawa2, Munetaka Akita2, Michito Shiotsuka3, Hajime Kamebuchi1, Makoto Tadokoro1 |
| 15:40-17:20 | 3P038 | Analysis of Q1(0) peaks of H2 induced by CH3F inpara-hydrogen crystal (Tokyo institute of technology) *Akira Nakaigawa, Hideto Kanamori |
| 15:40-17:20 | 3P039 | EPR measurement for thermally excited state of bianthrone singlet diradical (Graduate School of Science, Nagoya Univ.1,RCMS, Nagoya Univ.2) *Shohei Yamamoto1, Zhongyue Zhang2, Michio Matsushita1, Kunio Awaga1 |
| 15:40-17:20 | 3P040 | Raman spectroscopy of micro-crystals forming in rapidly solidified amorphous of mechanofluorochromic complexes - dibenzoylmethanatoboron difluoride derivatives (Graduate School of Science and Engineering, Aoyama Gakuin Univ.1,JST, PRESTO2,Institute of Education, Shinshu Univ.3) *Yotaro Matsumoto1, Hajime Okajima1,2, Fuyuki Ito3, Akira Sakamoto1 |
| 15:40-17:20 | 3P041 | Optoelectronic conversion using charge transfer crystals (Graduate School of Science, Nagoya Univ.) *Seiya Yokokura, Kunio Awaga |
| 15:40-17:20 | 3P042 | Structure and photophysical properties of naphtyl analogues of a chiral perylene diimide (Ibaraki Univ.1,AIST2) *Tomomasa Hosoya1, Aoba Kanesaka1, Toshiko Mizokuro2, Reiko Asumi2, Akira Yamaguchi1, Hiroyuki Nishilawa1 |
| 15:40-17:20 | 3P043 | Fabrication of a neutral radical crystal Fe(tbp)(CN)2 for an estimation of the intramolecular π–d interaction (Kumamoto Univ.1,Kumamoto Univ.2) *Kosuke Mine1, Masaki Matsuda2 |
| 15:40-17:20 | 3P044 | Fabrication of a molecular conductor showing a giant negative magnetoresistance effect (Kumamoto univ.1,Kumamoto univ.2) *Masayuki Yamaguchi1, Sayaka Iwamura1, Masaki Matsuda2 |
| 15:40-17:20 | 3P045 | Host-guest dynamics induced by structural transformation of polyoxometalate in single crystal (Graduate School of Science and Technology for Innovation1,Research Institute for Electronic Science2,Faculty of Env.Earth Science3) *Yu Watari1, Masaru Fujibayashi1, Kiyonori Takahashi2, Takayoshi Nakamura2, Shinichiro Noro3, Ryo Tsunashima1 |
| 15:40-17:20 | 3P046 | Crystal structures and mixed-valence states of one-dimensional bromido-bridged mixed-valence platinum(II,IV) complex salts with phosphate ions. (Dept. Chemistry, Rikkyo Univ.1,Research Center for Smart Molecules, Rikkyo Univ.2) *Akira Mikami1, Nobuyuki Matsushita1,2 |
| 15:40-17:20 | 3P047 | Synthesis of diblock copolymer postmodified with functional molecules and morphological control (Graduate School of Science, Nagoya Univ.1,Graduate School of Engineering, Nagoya Univ.2) *Takaaki Makino1, Atsushi Takano2, Yusyu Matsushita2, Kunio Awaga1 |
| 15:40-17:20 | 3P048 | Magnetic anisotropy of ErPc2 (Department of Chemistry, Graduate School of Science, Tohoku University1,Advanced Institute for Materials Research, Tohoku University2,School of Materials Science and Engineering, Nankai University3) *Tetsu Sato1, Keiichi Katoh1, Brian Breedlove1, Masahiro Yamashita2,3 |
| 15:40-17:20 | 3P049 | Crystal and electronic structures of radical salts composed of (±)-DM-MeDH-TTP (Graduate School of Science and Engineering, Ibaraki Univ.1,Graduate School of Pure and Applied Sciences, University of Tsukuba2) *Kenta Ebata1, Sho Miyamoto1, Takuya Shiga2, Hiroki Oshio2, Hiroyuki Nishikawa1 |
| 15:40-17:20 | 3P050 | Dielectric and thermal properties induced by polar gas molecules absorbed in noncentrosymmetric metal organic frameworks (Hokkaido University Graduate School of Chemical Sciences and Engineering1,Faculty of Science, Hokkaido University2) *Ryouhei Mizoue1, Yoshiyuki Kageyama2, Goro Maruta2, Sadamu Takeda2 |
| 15:40-17:20 | 3P051 | Theoretical study of tip-enhanced Raman spectroscopy (Graduate School of Chemical Sciences and Engineering1,Faculty of Science, Hokkaido Univ.2,WPI-ICReDD, Hokkaido Univ.3) *Masato Takenaka1, Takeshi Iwasa2,3, Tetsuya Taketsugu1,2,3 |
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| 15:40-17:20 | 3P052 | Electronic excitation spectra of ionic liquids faced on electrodes (Graduate School of Engineering Science, Osaka Univ.) *Ichiro Tanabe, Aki Suyama, Taiki Sato, Masaya Imai, Ken-ichi Fukui |
| 15:40-17:20 | 3P053 | Revisiting nonlinearity of electrode-electrolyte interfacial effects on electron transfer by a fully polarizable simulation (Graduate school of engineering, Kyoto Univ.1,ESCIB, Kyoto Univ.2) *Ken Takahashi1, Hiroshi Nakano1,2, Hirofumi Sato1,2 |
| 15:40-17:20 | 3P054 | Estimation of charge-injection barriers at the Metal/Phthalocyanine interface (Graduate School of Material Science, University of Hyogo1,Graduate School of Material Science, University of Hyogo2) *Sunao Shimomoto1, Akinari Ogino1, Hiroyuki Tajima1, Takeshi Komino1, Toshiaki Tanimura1, Tomofumi Kadoya1, Kazusuke Maenaka2, Tokuji Yokomatsu2 |
| 15:40-17:20 | 3P055 | Molecular arrangement and mobility of interfacial ionic liquid faced to graphite electrodes with different height steps analyzed by molecular dynamics calculation (Graduate School of Engineering Science, Osaka Univ.1,Graduate School of Engineering, Osaka Univ.2) *Masaki Yonekawa1, Ichiro Tanabe1, Kouji Inagaki2, Yoshitada Morikawa2, Ken-ichi Fukui1 |
| 15:40-17:20 | 3P056 | HD-VSFG spectroscopy of SHG-specific dye AP3 in lipid monolayers at air-water interface (pure and applied sciences, Univ. of Tsukuba) *Koki Nakajima, Masato Kondoh, Tatsuo Arai, Taka-aki Ishibashi |
| 15:40-17:20 | 3P057 | Development of software to calculate bulk quadrupole terms in Sum Frequency Generation spectroscopy. (Graduate School of Science, Tohoku Univ.1,ESICB, Kyoto Univ2) *Wataru Mori1, Tomonori Hirano1, Lin Wang1,2, Akihiro Morita1,2 |
| 15:40-17:20 | 3P058 | Estimation of charge-injection barriers at the Au/pentacene interface through Accumulated Charge Measurement (Graduate School of Material Science, University of Hyogo1,Graduate School of Engineering, University of Hyogo2) *Yuichi Omura1, Yuta Miyamoto1, Hiroyuki Tajima1, Takeshi Komino1, Toshiaki Tanimura1, Sunao Shimomoto1, Tomofumi Kadoya1, Kazusuke Maenaka2, Tokuji Yokomatsu2 |
[Clusters/particles/nanostructures]
| 15:40-17:20 | 3P059 | Theoretical investigations on catalytic mechanism of gold thiolate clusters (Hokkaido University Graduate School of Chemical Sciences and Engineering1,Department of Chemistry, Faculty of Science, Hokkaido University.2) *Rina Takahara1, Takeshi Iwasa2, Tetsuya Taketsugu1,2 |
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| 15:40-17:20 | 3P060 | Preparation of size controlled fine platinum clusters loaded on Al2O3 catalysts and evaluation of their catalytic ability against automotive exhaust gas purification (Tokyo University of Science1,Johnson Matthey Japan2) *Kanko Funai1, Nobuyuki Shimizu1, Wataru Kurashige1, Tokuhisa Kawawaki1, Shuhei Nagaoka2, Yuichi Negishi1 |
| 15:40-17:20 | 3P061 | Elucidation of influence of alloy-cluster cocatalyst on water-splitting photocatalytic activity (Graduate School of Science, Tokyo University of Science1,Graduate School of Science, Tokyo Metropolitan University2) *Kosuke Wakamatsu1, Rui Hayashi1, Yuki Kataoka1, Tokuhisa Kawawaki1, Akihide Iwase1, Seiji Yamazoe2, Akihiko Kudo1, Yuichi Negishi1 |
| 15:40-17:20 | 3P062 | Preparation and characterizaiton of metal nanoparticles catalysts using immobilized ionic liquids (Graduate School of Frontier Sciences, The University of Tokyo) *Takuya Kinoshita, Etty nurlia Kusumawati, Takehiko Sasaki |
| 15:40-17:20 | 3P063 | High Proton Conduction in Crystalline Composites Based on Preyssler-type POMs and poly(allylamine) (School of Arts and Sciences, The Univ. of Tokyo) *Tsukasa Iwano, Satoru Miyazawa, Sayaka Uchida |
| 15:40-17:20 | 3P064 | Excitation wavelength dependence on photochromic reaction of CdTe quantum dots-diarylethene derivative systems (Department of Chemistry, Kwansei Gakuin Graduated University,1,Department of Chemistry,Rikkyo University2) *Taisei Kataoka1, Daichi Eguchi1, Tetsuro Katayama1, Masakazu Morimoto2, Masahiro Irie2, Naoto Tamai1 |
| 15:40-17:20 | 3P065 | Performance comparison of a parallel plate iontrap and an endcap iontrap (Graduated School of Science. Osaka City Univ.) *Masaki Noguchi, Motoya Sano, Tomoyuki Yatsuhashi, Kenji Sakota |
| 15:40-17:20 | 3P066 | Development of ion mobility measurement system for spatial separation of charged particles (Department of Chemistry, Toho University) *Yuya Oishi, Fumiaki Uchiyama, Toshiki Sugai |
| 15:40-17:20 | 3P067 | Elucidation of the reactions between rhodium clusters and nitric oxide by gas phase thermal desorption method (Graduate School of Arts and Sciences) *Kimihiro Kawada, Ken Miyajima, Fumitaka Mafune |
| 15:40-17:20 | 3P068 | Structure and physical properties of Ag-Cu alloy cluster, Ag40Cu14S19(t-BuS)20(t-BuSO3)12 (Graduate School of Science, Tokyo Univ. of Science) *Kota Hamada, Yasunaga Hosokawa, Tokuhisa Kawawaki, Yuichi Negishi |
| 15:40-17:20 | 3P069 | Structural change of Pt sub-nano clusters observed by a electron microscope (Lab. Chem. Life Sci., Tokyo Tech.1,JST-PRESTO2,JST-PRESTO3) *Tetsuya Toyonaga1, Takane Imaoka1,2,3, Kimihisa Yamamoto1,2 |
| 15:40-17:20 | 3P070 | Understanding the microscopic behavior of fullerene aggregations by using photothermal detection (Graduated School of Science, Kanagawa Univ.1,Deprtment of chemistry, Kanagawa Univ.2) *Jishin Kyuu1, Syouta Baba2, Akio Kawai1 |
| 15:40-17:20 | 3P071 | Synthesis and Characterization of Ligand-Protected Gold Superatoms Doped with Group 9 Elements (Grad. Sch. Sci., The Univ. of Tokyo1,ESICB, Kyoto Univ.2) *Haru Hirai1, Shinjiro Takano1, Tatsuya Tsukuda1,2 |
| 15:40-17:20 | 3P072 | Time dependence of interparticle distance and SERS intensity of AuNPs conjugated with copolymer possessing aggregation/dispersion property (Graduate School of Science, Chiba Univ.1,Graduate School of Engineering, Utsunomiya Univ.2,Department of Science, Okayama Univ.3) *Yuki Ogawa1, Tsubasa Iwamatsu2, Tomonari Sumi3, Nobuo Uehara2, Takeshi Morita1 |
| 15:40-17:20 | 3P073 | Structure and stability of guanosine multiplex Ions studied by collision induced dissociation (Graduate School of Nanobioscience, Yokohama City Univ.) *Saki Kitamura, Satoko Kanamori, Takaaki Iyama, Wataru Kadota, Yuto Yonebayashi, Shinji Nonose |
| 15:40-17:20 | 3P074 | Dimer interface point mutation induced structure and activity changes of Cu, Zn-SOD (Grad. sch. life and environ. Sci., Kyoto pref. univ.1,Grad. sch. eng., Kyoto univ.2) *Masami Lintuluoto1, Natsumi Koyama1, Juha Lintuluoto2 |
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| 15:40-17:20 | 3P075 | Theoretical study for Genji-botaru Firefly bioluminescence spectra using QM/MM method (Graduate School of Science and Technology, Gunma Univ.1,Graduate School of Engineering, Shizuoka Univ.2,Center for Computational Science & e-Systems, Japan Atomic Energy Agency3,ISSP, Univ. Tokyo4,OPERANDO-OIL5,Graduate School of Information Science, Nagoya Univ.6) *Miyabi Hiyama1, Yoshifumi Noguchi2, Motoyuki Shiga3, Osamu Sugino4, Hidefumi Akiyama4,5, Nobuaki Koga6 |
| 15:40-17:20 | 3P076 | Effect of membrane-targeted drugs on lipid bilayer membranes detected by picosecond time-resolved fluorescence spectroscopy (Faculty of Science, Gakushuin University1,Faculty of Medical Sciences, University of Fukui2,Biomedical Imaging Research Center, University of Fukui3,Laboratoty for Chemistry and Life Science, Tokyo Institute of Technology4) *Natsumi Okada1, Masayuki Iwamoto2, Haruna Hayashi1, Akira Takakado1, Shigetoshi Oiki3, Hiroyuki Nakamura4, Koichi Iwata1 |
| 15:40-17:20 | 3P077 | The control of the fluorescence lifetime of fluorescent proteins (Toho University1,Nano Medical Engineering Laboratory2) *Hiroki Tsubota1, Sakiko Hazama1, Kanako Yamaguchi1, Hideyuki Miyatake2, Akira Uchida1, Haruko Hosoi1 |
| 15:40-17:20 | 3P078 | Replica-permutation simulation for dimerization process of α-synuclein fragemnts (SOKENDAI1,ExCELLS2,IMS3) *Masataka Yamauchi1,2,3, Hisashi Okumura2,1,3 |
| 15:40-17:20 | 3P079 | Direct observation of chemical transfer in fungal–bacterial interactions using stable isotope-labeled Raman imaging (Kwansei Gakuin Univ.1,Tsukuba Univ.2) *Masashi Yamamoto1, Mitsuru Yasuda1, Norio Takeshita2, Shinsuke Shigeto1 |
| 15:40-17:20 | 3P080 | What is responsible for anion dependence on protein dynamics of halorhodopsin? (Graduate School of Science, Osaka University1,Nagoya Institute of Technology2) *Misao Mizuno1, Yumi Shimoo1, Hideki Kandori2, Yasuhisa Mizutani1 |
| 15:40-17:20 | 3P081 | Molecular structural analysis in liquid-liquid phase separation using Raman microscopy (Graduate School of Pharmaceutical Sciences, Tohoku Univ.) *Yusuke Niwa, Kazuki Murakami, Kunisato Kuroi, Shinji Kajimoto, Takakazu Nakabayashi |
| 15:40-17:20 | 3P082 | Photo-induced dimerization of BLUF domain from blue-light-regulated phosphodiesterase EB1 (Graduate School of Science, Kyoto Univ.) *Kosei Shibata, Yusuke Nakasone, Masahide Terazima |
| 15:40-17:20 | 3P083 | Efficient time evolution based on operator transformation: development and extension of three-term recurrence-relation method (Faculty of Science, Hokkaido Univ.1,WPI-ICReDD, Hokkaido Univ.2) *Tomoko Akama1, Tetsuya Taketsugu1,2 |
|---|---|---|
| 15:40-17:20 | 3P084 | Elucidation of the Vibrational Structures of ArnH+ (n=2-3) and ArmN4H+ (m=0-1): A Theoretical Study (IAMS, Academia Sinica, Taiwan) Jake a. Tan, *Jer-lai Kuo |
| 15:40-17:20 | 3P085 | Theoretical analysis of the nuclear coordinate derivatives of the dipole moment function for OH stretching vibration of ROH type molecules using the linear response function (Graduate School of Science and Technology, Keio University) *Yuto Kugaya, Masafumi Tsuyuki, Satoshi Yabushita |
| 15:40-17:20 | 3P086 | Analysis of transverse and longitudinal components in the coupled Maxwell-Schroedinger hybrid approach (Graduate School of Sci. & Tech., Nihon Univ.) *Yuki Naito, Tokuei Sako |
| 15:40-17:20 | 3P087 | An exploration of bifurcation based on AFIR method : application to a Diels-Alder reaction (Graduate School of Chemical Science and Engineering, Hokkaido University, Japan1,School of Science, Hokkaido University, Japan2,JST PRESTO, Japan3,WPI-ICReDD, Japan4,NIMS, Japan5) *Takuma Ito1, Yu Harabuchi2,3, Satoshi Maeda2,4,5 |
| 15:40-17:20 | 3P088 | Controlled Intersystem Crossing in Iron Porphycene Substituted Myoglobin for Cyclopropanation Reaction: A Theoretical Study (Graduate School of Chemical Science and Engineering, Hokkaido Univ.1,Institute for Catalysis, Hokkaido Univ.2,Graduate School of Engineering, Osaka Univ.3,Graduate School of Engineering, Univ. of Tokyo4) *Liming Zhao1, Akira Nakayama4, Koji Oohora3, Takashi Hayashi3, Jun-ya Hasegawa2 |
| 15:40-17:20 | 3P089 | Development and evaluation of a program code using cubic hermite spline for solving the time-dependent kohn-sham equation (Graduate School of Science and Technology, Hirosaki Univ.) *Isao Okazaki |
| 15:40-17:20 | 3P090 | Application of the surface hopping method using time derivatives of adiabatic potential energy gradients: Photodissociation simulation of (CO2)2+ (Graduate School of Science, Tohoku Univ.) *Toshiaki Maeda, Manabu Kanno, Yuji Nakashima, Yuri Ito, Kenichi Okutsu, Motoyoshi Nakano, Keijiro Ohshimo, Fuminori Misaizu, Hirohiko Kono |
| 15:40-17:20 | 3P091 | Study of interaction analysis in canonical molecular orbital calculation of proteins (IIS, the Univ. of Tokyo) *Toshiyuki Hirano, Fumitoshi Sato |
| 15:40-17:20 | 3P092 | A theoretical analysis of vibrational spectroscopy of organic-inorganic hybrid perovskite (Center for Condensed Matter Sciences, National Taiwan Univ.) Hsu Chih-sheng, *Michitoshi Hayashi |
| 15:40-17:20 | 3P093 | Full atomistic simulation of ethylene/1-octene copolymerization reaction process by (pyridylamido)Hf(IV) catalyst (Graduate School of Informatics1,JST-CREST2,ESICB, Kyoto University3,Future Value Creation Research Center, Nagoya University4) *Nana Misawa1, Yuichi Suzuki1, Nobuaki Koga1,4, Masataka Nagaoka1,2,3,4 |
| 15:40-17:20 | 3P094 | Elucidation of the stability mechanism of water under negative pressure in nanochannels using molecular dynamics method (Graduate School of Engineering,Nagoya Univ.) *Yuki Ito, Yoshimichi Andoh, Susumu Okazaki |
| 15:40-17:20 | 3P095 | Theoretical study of H/D isotope effect on CH...O interaction (Graduate School of Engineering, Gifu Univ.1,Graduate School of NanobioScience, Yokohama City Univ.2,School of Data Science, Yokohama City Univ.3,Gifu Univ.4) *Haruki Funahashi1, Masanori Tachikawa2,3, Taro Udagawa4 |
| 15:40-17:20 | 3P096 | Elucidation of dynamics of RvSAHS1 by MD simulations (SOKENDAI1,IMS2,ExCELLS3) *Kazuhisa Miyazawa1,2,3, Satoru Itoh1,2,3, Hisashi Okumura1,2,3 |
| 15:40-17:20 | 3P097 | Theoretical study on singlet fission dynamics of ring-shaped molecular aggregates by the quantum master equation method (Graduate School of Engineering Science, Osaka University1,Institute for Molecular Science2,Graduate School of Science, Osaka University3,AIST Kansai4) *Masayoshi Nakano1,2, Kenji Okada1, Wataru Yoshida1, Takanori Nagami1, Takayoshi Tonami1, Hajime Miyamoto1, Takashi Kubo3, Kenji Kamada4 |
| 15:40-17:20 | 3P098 | Free energy profile of lipid translocation across the POPC bilayer by logarithmic mean-force dynamics (BDR, RIKEN1,CD-FMat, AIST2) *Hiroaki Saito1, Tetsuya Morishita2 |
| 15:40-17:20 | 3P099 | Theoretical study of ammonia decomposition reaction on tetramer of transition metals (Grad. Sch. of Chem. Sci. and Eng., Hokkaido Univ.1,Fac. of Sci., Hokkaido Univ.2,WPI-ICReDD, Hokkaido Univ.3) *Hirono Mohri1, Takeshi Iwasa2,3, Tetsuya Taketsugu1,2,3 |
| 15:40-17:20 | 3P100 | General Theory of Resonance Energy Transfer and Fluorescence Coupled with Plasmon Polaritons (IAMS, Academia Sinica) *Liang-yan Hsu |
| 15:40-17:20 | 3P101 | Theoretical insight into NOx reduction catalysis of 3d and 4d metal clusters (M13, M55 ; M = Co, Ni, Rh, Pd) (ESICB, Kyoto Univ.1,IMS2,FIFC, Kyoto Univ.3) *Nozomi Takagi1, Ryoichi Fukuda1, Masahiro Ehara1,2, Shigeyoshi Sakaki1,3 |
| 15:40-17:20 | 3P102 | Theoretical study on non-Markov effect on singlet fission dynamics of pentacene dimer using the quantum master equation method (Graduate School of Engineering Science, Osaka University1,Institute for Molecular Science2) *Wataru Yoshida1, Kenji Okada1, Takanori Nagami1, Takayoshi Tonami1, Hajime Miyamoto1, Masayoshi Nakano1,2 |
| 15:40-17:20 | 3P103 | Theoretical investigation of spin-inversion mechanism in GeH2 (1A1, 3B1) (Department of Chemistry, Saitama University1,School of Pharmaceutical Sciences, Health Sciences University of Hokkaido2) *Yuya Watabe1, Takaaki Miyazaki1, Yoshi-ichi Suzuki2, Toshiyuki Takayanagi1 |
| 15:40-17:20 | 3P104 | Quantum chemistry calculations with Qulacs (QunaSys Inc.) *Yuya Nakagawa, Takahiro Yamamoto |
| 15:40-17:20 | 3P105 | Revealing reaction coordinates characterizing dipeptide isomerization by committor and likelihood maximization (Graduate School of Engineering Science, Osaka University1,Institute for Molecular Science2) *Yusuke Mori1, Kei-ichi Okazaki2, Toshifumi Mori2, Kang Kim1, Nobuyuki Matubayasi1 |
| 15:40-17:20 | 3P106 | Theoretical analysis of oxidation state during water splitting reaction by Mn12 cluster (Graduate School of Science, Osaka Univ.1,Faculty of Science, Osaka Univ.2,AIST3,RIKEN4) *Yuta Suzuki1, Yoko Matsumoto2, Takashi Kawakami1,3,4, Shusuke Yamanaka1, Mitsutaka Okumura1, Kizashi Yamaguchi3,4 |
| 15:40-17:20 | 3P107 | ReaxFF parameer optimization using Machine Learning method (Kyocera) *Hiroya Nakata |
| 15:40-17:20 | 3P108 | Elucidation of the relation between conductance and conductive path in π-conjugated systems based on the frontier orbital theory (IMCE, Kyushu University) *Kazuki Okazawa, Yuta Tsuji, Kazunari Yoshizawa |
| 15:40-17:20 | 3P109 | Theory of Two-Dimensional Electronic-Vibrational Spectroscopy for Nonadiabatic Molecular Dynamics (Department of Chemistry, NTU) Man-tou Wong, *Yuan-chung Cheng |
| 15:40-17:20 | 3P110 | Theoretical study on intramolecular magnetic interaction in pyrazole-bridged dinuclear metal complexes (Graduate School of Engineering Science, Osaka University1,Institute for Molecular Science2) *Takuya Fujii1, Iori Era1, Hayato Tada1, Kazuki Ikenaga1, Yasutaka Kitagawa1, Masayoshi Nakano1,2 |
| 15:40-17:20 | 3P111 | Investigation of the heat conductive mechanism in Nematic liquid crystals by nonequilibrium molecular dynamics (School of Materials and Chemical Technology, Tokyo Institute of Technology) *Ryoma Sasaki, Yoshihiro Hayashi, Susumu Kawauchi |
| 15:40-17:20 | 3P112 | The development of anharmonic vibrational state theory using novel vibrational coordinate with backflow transformation (Graduate School of Nanobioscience, Yokohama City Univ.1,School of Data Science, Yokohama City Univ.2) *Kiriko Ishii1, Masanori Tachikawa1,2, Yukiumi Kita1 |
| 15:40-17:20 | 3P113 | Theoretical estimation of emission spectra and RISC rate constants in TADF molecules (Department of Chemistry,Graduate School of science, Osaka Prefecture University1,The Research Institute for Molecular Electronic Devices (RIMED), Osaka Prefecture University2,JNC Petrochemical Corporation3) *Anna Miyazaki1, Shiro Koseki1,2, Toshio Asada1,2, Takeshi Matsushita2,3 |
| 15:40-17:20 | 3P114 | Theoretical Study of Stability and Bonding Character of Group 14 Compounds (Nara Institute of Science and Technology (NAIST)) *Hiroki Okuno, Miho Hatanaka |
| 15:40-17:20 | 3P115 | Molecular dynamics simulation on physical property of organic ionic plastic crystal (Graduate School of Science, Sophia Univ.1,Nippon Chemi-Con Corp.2) *Yusuke Ikuta1, Koki Ishihara1, Syuichi Ishimoto2, Satoshi Kubota2, Masahiro Fujita1, Shinkoh Nanbu1 |
| 15:40-17:20 | 3P116 | The structure exploration of boron nitride crystals using the generalized scaled hypersphere search method (Graduate School of Systems Engineering, Wakayama Univ.1,Faculty of Systems Engineering, Wakayama Univ.2,Research Fellowships of Institute for Quantum Chemical Exploration for Young Scientist3,Institute for Quantum Chemical Exploration4,Graduate School of Science, Tohoku Univ.5) *Yoshitomo Kodaya1,3, Takuto Oki1, Hideo Yamakado1,2, Hiroaki Tokoyama4, Koichi Ohno4,5 |
| 15:40-17:20 | 3P117 | Improvement of accuracy in frozen core potential method using spherical harmonic basis functions (Advanced Science and Engineering, Waseda Univ.1,Nippon Steel Corp.2,RISE, Waseda Univ.3,JST-PRESTO4,ESICB, Kyoto Univ.5) *Moto Tarumi1,2, Junji Seino3,4, Hiromi Nakai1,3,5 |
| 15:40-17:20 | 3P118 | Theoretical study on enhancement of the IR absorption intensity of TCNQ dimer on the basis of CT theory (Chiba Institute of Technology) *Hironao Amemiya, Hidenori Matsuzawa |
| 15:40-17:20 | 3P119 | Computational Chemical Analysis of Formation Mechanism of Enantiomers in SN1 Reaction: On Microscopic Origin of the Excess of Enantiomer Formation (Grad. Sch. of Informatics, Nagoya Univ.1,Future Value Creation Research Center, Nagoya Univ.2,JST-CREST3,ESICB, Kyoto Univ,4) *Yuichi Suzuki1, Hiroaki Yagoshi1, Nobuaki Koga1,2,3, Masataka Nagaoka1,2,3,4 |
| 15:40-17:20 | 3P120 | Novel method for reaction rate constant of spin-polarized radicals by Inversion Recovery mesurement (Graduate school of science, Kanagawa university1,Deprtment of chemistry, Faculty of science, Okayama university of science2) *Hiroki Hirano1, Hirona Takahashi2, Akio Kawai1 |