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ID：molsci2019 PASS：pY4ZX-BlsGw1
Wednesday, September 18 (13:00 - 14:40)
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
| 13:00-14:40 | 2P001 | Cold ion trap spectroscopy of a partial peptide of intrinsically disordered protein α-synuclein – small ligands complexes - secondary structure formation by ligand binding (Tokyo Tech Life-Sci&Tech1,Tokyo Tech CLS2,Inst. Theo. Medicine3) *Mizuki Tabata1,2, Atsushi Yoshimori3, Hirofumi Nakano3, Keisuke Hirata1,2, Shun-ichi Ishiuchi1,2, Masaaki Fujii1,2 |
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| 13:00-14:40 | 2P002 | Infrared Spectra of the 1-methylvinoxide Radical and Anion Isolated in Solid Argon (NSRRC1,Department of Applied Chemistry, National Chiao Tung University2) *Yujong Wu1,2 |
| 13:00-14:40 | 2P003 | Infrared spectroscopic study of ionization-induced isomerization of formamide-(H2O)3 (Graduate School of Science, Tohoku Univ.) *Yoshiyuki Matsuda, Yutaro Hirano, Asuka Fujii |
| 13:00-14:40 | 2P004 | Application of machine learning to three-dimensional alignment control of asymmetric-top molecules (Graduate School of Science, Tohoku Univ.) *Tomotaro Namba, Masataka Yoshida, Yukiyoshi Ohtsuki |
| 13:00-14:40 | 2P005 | Control of the radiative decay process between the ion-pair states of molecular iodine (Faculty of Science, Tokyo Univ. of Sci.) *Shoma Hoshino, Rin Abe, Koichi Tsukiyama |
| 13:00-14:40 | 2P006 | Time-dependent dynamics of pi-electrons in butadiene (Institute of Chemistry, Chinese Academy of Sciences1,School of Science, The University of Tokyo2) Wenhong Yang1, *Erik Lötstedt2, Kaoru Yamanouchi2 |
| 13:00-14:40 | 2P007 | Photoreaction mechanisms of 2-halogenated thiophenols isolated in matrix (Graduate School of BASE, Tokyo Univ. of Agr. & Tech.) *Kana Nakahara, Masazumi Hayashi, Nobuyuki Akai |
| 13:00-14:40 | 2P008 | Isotope effects in tunneling ionization of molecular hydrogen in intense circularly polarized laser fields (Grad. Sch. Science, Nagoya U1,RCMS, Na2) *Minami Takahashi1, Hikaru Fujise1, Takeru Nakamura1, Akiyoshi Hishikawa1,2 |
| 13:00-14:40 | 2P009 | Study on pyrrole-acetone large solvated clusters by IR two-dimensional correlation spectroscopy (Faculty of Science, Shizuoka Univ.) *Yoshiteru Matsumoto, Soichi Tezuka |
| 13:00-14:40 | 2P010 | Millimeter-wave Spectroscopy of AuI (Faculty of Science, Shizuoka Univ.) *Toshiaki Okabayashi, Tomoki Sugiyama, Shizuka Kiyose |
| 13:00-14:40 | 2P011 | Study on the full product ion analysis of multiply charged precursor ions by using a reflectron time-of-flight mass spectrometer (Graduate School of Science, Osaka City Univ.1,Graduate School of Science, Osaka Prefecture Univ.2) *Kosei Kitagawa1, Akihiro Kitashoji1, Akimasa Fujihara2, Tomoyuki Yatsuhashi1 |
| 13:00-14:40 | 2P012 | Conformation change of proteins in droplets by laser irradiation (Graduate School of Material Science, Univ. Hyogo1,Chemistry Department, Indiana University2) *Kenji Honma1, Daniel w. Woodall2, David e. Clemmer2 |
| 13:00-14:40 | 2P013 | Conformation of alkali metal ion-calix[4]arene complexes studies by cold gas-phase spectroscopy (Graduate School of Science, Hiroshima University1,National Chiao Tung University2) Kozue Wada1, Motoki Kida1, Satoru Muramatsu1, Takayuki Ebata1,2, *Yoshiya Inokuchi1 |
| 13:00-14:40 | 2P014 | Determination of the intermolecular potential energy surfaces for (para-, ortho-)H2-HX(X＝F, Cl) (Gaduate School of Science and Technology, Gunma Univ.1,School of Science and Technology, Gunma Univ.2) *Keisuke Asaka1, Kuon Yajima2, Mai Nakazawa2, Yoshihiro Sumiyoshi1 |
| 13:00-14:40 | 2P015 | Research about dynamics in CH2BrI molecule induced by X-ray free-electron laser (IMRAM, Tohoku Univ.1,RSC2,Goethe Univ.3,Kyoto Univ.4,DESY5,JASRI6,Tohoku Univ.7) *Shu Saito1, Hironobu Fukuzawa1,2, Daehyun You1, Yu Luo1, Markus Schoffler3, Akinobu Niozu4, Florian Trinter5, Kirian Fehre3, Naomichi Yokono4, Shigeki Owada2, Tetsuo Katayama6, Kensuke Tono6, Makina Yabashi2, Naoki Kishimoto7, Kiyonobu Nagaya4, Kiyoshi Ueda1,2 |
| 13:00-14:40 | 2P016 | Experimental and theoretical studies of Rydberg/valence interaction in photodissociation of aliphatic amines (Graduate School of Science, Hiroshima Univ.1,Global Career Design Center, Hiroshima Univ.2) *Yuuki Onitsuka1,2, Peerapat Wangchingchai1, Katsuyoshi Yamasaki1, Hiroshi Kohguchi1 |
| 13:00-14:40 | 2P017 | Structure and inclusion ability of spherand-alkali metal ion complexes in the gas phase (Graduate School of Science, Hiroshima Univ.) *Motoki Kida, Kanako Wada, Satoru Muramatsu, Yohsuke Yamamoto, Yoshiya Inokuchi |
| 13:00-14:40 | 2P018 | Theoretical study about methanol formation reaction path on interstellar dust surface (Graduate School of Science, Tokyo Metropolitan Univ.) *Takenobu Michiaki, Naoki Naktani, Masahiko Hada |
| 13:00-14:40 | 2P019 | Electronic spectra of jet-cooled Imidazo[1,2-a]pyridine and its hydrogen-bonded clusters (Graduate School of Science, Fukuoka Univ.) *Miku Maeda, Yuji Yamada, Yoshinori Nibu |
| 13:00-14:40 | 2P020 | Evaluation of standard rate constant for ion transfer through liquid-liquid interface (Graduate School of Science, Tohoku Univ.1,ESICB, Kyoto Univ.2) *Hajime Ito1, Ai Koizumi1, Tomonori Hirano1, Nobuya Naito1, Akihiro Morita1,2 |
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| 13:00-14:40 | 2P021 | Hydrophobicity and hydrophilicity of [P4,4,4,4]CF3COO ionic liquid in water by the differential thermodynamics methodology. (Graduate School of Science, Chiba University1,Toyota Physical & Chemical Research Institute2,Department of Chemistry, The University of British Columbia3) *Midori Matsushita1, Keiko Nishikawa2, Yoshikata Koga3, Takeshi Morita1 |
| 13:00-14:40 | 2P022 | Selective oxidation of H2 and CO by NiIr complex: A DFT mechanistic study (Kyushu University) *Miho Isegawa, Seiji Ogo |
| 13:00-14:40 | 2P023 | Properties of two sodium n-alkyl sulfate micelles evaluated with time-resolved absorption spectroscopy and time-resolved Raman spectroscopy (Faculty of Science, Gakushuin Univ.1,Faculty of Engineering, Toyama Prefectural Univ.2) *Shion Goryo1, Tsukasa Tokita1, Shunnosuke Okino1, Tomohisa Takaya1,2, Koichi Iwata1 |
| 13:00-14:40 | 2P024 | Development of NIR-Light Responsive Negative Photochromic Bipyrenyl-Bridged Imidazole Dimer (School of Science and Engineering, Aoyoma Gakuin Univ.) *Kaho Arai, Katsuya Mutoh, Jiro Abe |
| 13:00-14:40 | 2P025 | Excitation energy transfer in a low-band-gap copolymer PTB7 probed by two-dimensional electronic spectroscopy (Analysis Technology Center, Research and Development Management Headquarters, FUJIFILM Corp.) *Takumi Nakamura |
| 13:00-14:40 | 2P026 | Coupling between ionic mobility and structural relaxation in ionic liquids (Graduate School of Engineering, Nagoya University) *Tsuyoshi Yamaguchi |
| 13:00-14:40 | 2P027 | Exploring hydrogen-bond breakages due to cooperative motions of multiple molecules in liquid water (Graduate School of Engineering Science, Osaka University) *Takuma Kikutsuji, Kang Kim, Nobuyuki Matubayasi |
| 13:00-14:40 | 2P028 | Hydrogen bonding states of water in reverse micelles observed by soft X-ray spectroscopy and raman spectroscopy (Yamaguchi Univ.1,RIKEN SPring-8 Center2) *Kazuki Ueno1,2, Masaki Oura2, Yuka Horikawa1,2 |
| 13:00-14:40 | 2P029 | Photoelectron spectroscopic studies on Madelung energy of ionic liquids(Ⅱ) (Department of Materials Science and Engineering, Tokyo Institute of Technology, Japan1,Department of Materials and Life Sciences, Sophia University, Japan2,Faculty of Science and Technology, Tokyo University of Science, Japan3) *Fumi Inaba1, Shiori Nomoto1, Takashi Iwahashi1, Masahiro Fujita2, Kaname Kanai3, Yukio Ouchi1 |
| 13:00-14:40 | 2P030 | Detection of FRET using infra-red fluorescence probe in water (Faculty of Science, Gakushuin Univ.) *Akira Takakado, Koichi Iwata |
| 13:00-14:40 | 2P031 | Heterogeneous structure of ionic liquids viewed from the rotational dynamics of carbon monoxide (Graduate School of Science and Engineering, Doshisha Univ.1,Faculty of Science and Engineering, Doshisha Univ.2,Graduate School of Natural System, Kanazawa Univ.3) *Hiroki Sumida1, Yoshiro Yasaka3, Yosihumi Kimura2,1, Takatsugu Endo2 |
| 13:00-14:40 | 2P032 | Performance improvements of double-decker Dy single-molecule magnets (Graduate School of Science, Tohoku Univ.1,Advanced institute for Materials Research, Tohoku Univ.2,School of Material Science, Nankai University, China.3) *Haruna Taniguchi1, Keiichi Katoh1, Brian Breedlove1, Masahiro Yamashita1,2,3 |
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| 13:00-14:40 | 2P033 | Ferroelectrics of tetrahedral hexamethylenetetramine-based metal free perovskite structure (Graduate School of Sciences and Technology for Innovation, Yamaguchi Unv.1,Graduate School of Science, Hiroshima Univ.2) *Hagino Morita1, Sadafumi Nishihara2, Ryo Tsunashima1 |
| 13:00-14:40 | 2P034 | Conventional ESR analyses of high-spin metallocomplexes with sizable zero-field splitting parameters: relationships of hyperfine splitting tensors (Faculty of Science, Tokyo Univ. of Science1,Graduate School of Science, Osaka City Univ.2) *Takeshi Yamane1, Kazunobu Sato2, Takeji Takui2, Makoto Tadokoro1 |
| 13:00-14:40 | 2P035 | Syntheses of new thiophene-based oligomers and electrical conductivity measurements of their charge-transfer complexes (ISSP, The Univ. of Tokyo1,Faculty of Advanced Science and Technology, Kumamoto University2) *Ryohei Kameyama1, Shun Dekura1, Akira Ueda1,2, Hatsumi Mori1 |
| 13:00-14:40 | 2P036 | Anhydrous proton conductivity of an imidazolium phosphate crystal with novel crystal structure (ISSP, The University of Tokyo) *Shun Dekura, Yoshiya Sunairi, So Yokomori, Hatsumi Mori |
| 13:00-14:40 | 2P037 | Electrical resistivity measurements under pressure for hydrogen-bonded organic conductors β’-[H_3_(Cat-EDO-TTF)_2_]A（A=BF_4_, ClO_4_） (ISSP, The University of Tokyo1,Faculty of Advanced Science and Technology, Kumamoto University2) *Yuta Sugai1, Akira Ueda1,2, Junya Yoshida1, So Yokomori1, Shun Dekura1, Jun Gouchi1, Yoshiya Uwatoko1, Shinichiro Asai1, Takatsugu Masuda1, Hatsumi Mori1 |
| 13:00-14:40 | 2P038 | Development of redox active triptycene derivatives for honeycomb crystal structures (Department of Chemistry, Nagoya Univ.) *Yoshiaki Shuku, Kunio Awaga |
| 13:00-14:40 | 2P039 | Electrical conductivity measurements for heterometallic one-dimensional chain complexes (Faculty of Engineering, Gifu Univ.1,Graduate School of Natural Science and Technology, Gifu Univ.2) *Kazuhiro Uemura1, Asuka Sahashi2 |
| 13:00-14:40 | 2P040 | A correlation between alkyl chain length and electron transport properties of alkylammonium - dianionic naphthalenediimide salts (Graduate School of Engineering, Tohoku Univ.1,IMRAM, Tohoku Univ.2,Graduate School of Engineering, Kyoto Univ.3) *Ayumi Kawasaki1, Norihisa Hoshino1,2, Takashi Takeda1,2, Wakana Matsuda3, Shu Seki3, Tomoyuki Akutagawa1,2 |
| 13:00-14:40 | 2P041 | Evaluation of Electrochemical Properties of MOFs Using Azo-Compounds as Ligands (Graduate School of Science and Technology, Kwansei Gakuin Univ.1,JST PRESTO2) *Hiroki Toshima1, Takeshi Shimizu1, Hirohumi Yoshikawa1, Daisuke Tanaka1,2 |
| 13:00-14:40 | 2P042 | Formation of pores and π-stacked columns in benzothienobenzothiophene-based linear coordination polymers (Graduate School of Science, Tohoku Univ.1,Department of Advanced Materials Science, Graduate School of Frontier Sciences, The University of Tokyo2,Advanced Institute for Materials Research, Tohoku Univ.3,Nankai Univ.4) *Koyama Shohei1, Hiroaki Iguchi1, Shinya Takaishi1, Cosquer Goulven1, Shohei Kumagai2, Jun Takeya2, Toshihiro Okamoto2, Masahiro Yamashita1,3,4 |
| 13:00-14:40 | 2P043 | Ferroelectricity and even-odd effect of terephthalalkylamide derivatives (Graduate School of Engineering, Tohoku Univ.1,IMRAM, Tohoku Univ.2) *Moeko Kawana1, Takashi Takeda1,2, Norihisa Hoshino1,2, Tomoyuki Akutagawa1,2 |
| 13:00-14:40 | 2P044 | Metal-metal phase transition of molecular conductors based on DM-TTP derivatives (Ehime University1,RU:PGeS, RU:OSC, Ehime Univ.2) Naoya Kinoshita1, *Takashi Shirahata1,2, Yohji Misaki1,2 |
| 13:00-14:40 | 2P045 | Femtosecond Pump-Probe Microspectroscopic Imaging of Copper Phthalocyanine Nanorods (Graduate School of Science and Engineering, Ehime Univ.1,Faculty of Engineering, Ehime Univ.2) *Yukihide Ishibashi1, Hitomi Tanaka2, Ryo Kihara1, Ryosuke Tanaka2, Tsuyoshi Asahi1 |
| 13:00-14:40 | 2P046 | Coherent control of inter- and intra-molecular oscillations in single crystalline rubrene at cryogenic temperature (NAIST1,NAIST2) *Keisuke Yano1, Hiroyuki Katsuki2, Hisao Yanagi2 |
| 13:00-14:40 | 2P047 | Evaluation of structure and electrical properties of solid solutions of polyoxometalates with different oxidation states (Yamaguchi University, Creative Science) *Yuichiro Miyazaki, Megumi Mori, Ryo Tsunasima |
| 13:00-14:40 | 2P048 | Chemical substitution effect of organic superconductor α-(BEDT-TTF)2NH4Hg(SCN)4 (Graduate School of Science, Osaka Univ.) *Ryo Tanaka, Tetsuya Nomoto, Satoshi Yamashita, Hiroki Akutsu, Yasuhiro Nakazawa |
| 13:00-14:40 | 2P049 | Investigation of concerted electrochromic properties between visible and infrared regions exhibited by unsymmetrical metal dithiolene complexes (Graduate School of Material Science, Hyogo Univ.1,Research Institute for Electronic Science,Hokkaido Univ.2) *Aoi Hori1, Kazuya Kubo1, Yuna Kim2, Tomofumi Kadoya1, Keishiro Tahara1, Nobuyuki Tamaoki2, Takayoshi Nakamura2, Jun-ichi Yamada1 |
| 13:00-14:40 | 2P050 | Magnetic field angle dependences in electronic heat capacity of magnetic superconductor κ-(BETS)2FeBr4 (Graduate School of Science, Osaka Univ.1,Graduate School of Science, Osaka Pref. Univ.2) *Sotaro Fukuchi1, Satoshi Yamashita1, Hiroki Akutsu1, Yasuhiro Nakazawa1, Hideki Fujiwara2 |
| 13:00-14:40 | 2P051 | Molecular mechanism of reduction tolerance of acetonitrile under high concentration electrolyte solution condition (Molecular Spectroscopy Laboratory, RIKEN, Japan1,Department of chemistry, Tokyo Institute of Technology, Japan2,Ultrafast Spectroscopy Research Team, RAP, Japan3) *Atsushi Sayama1,2, Satoshi Nihonyanagi1,3, Yasuhiro Ohshima2, Tahei Tahara1,2,3 |
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| 13:00-14:40 | 2P052 | The dissolution process of carbon dioxide at the ionic liquid interface (Graduate School of Engineering, Nagoya Univ.1,Institute for Radiation Sciences, Osaka Univ.2,Graduate School of Science, Osaka Univ.3) Tetsuro Nagai1, Kazushi Fujimoto1, *Takahiro Teramoto2, Hiroshi Ohoyama3 |
| 13:00-14:40 | 2P053 | Cationic effect at phospholipid membrane/aqueous solution interfaces (Graduate School of Science and Engineering, Univ. of Toyama) Tomoaki Okumura, *Tatsuya Ishiyama |
| 13:00-14:40 | 2P054 | Measurements of molecular diffusion coefficients in the lipid bilayers by total internal reflection transient grating method (Graduate School of Pure and Applied Sciences, University of Tsukuba) *Hidekazu Moritani, Masato Kondoh, Taka-aki Ishibashi |
| 13:00-14:40 | 2P055 | Evaluation of surface energy of pigment crystals by density functional theory (JSOL Corporation) *Tatsuya Maeda, Taku Ozawa, Hiroya Nitta |
| 13:00-14:40 | 2P056 | Evaluation of the oxidation mechanism of the unsaturated lipid monolayer in low level ozone (Graduate School of Science, Tohoku Univ1,Graduate School of Health Sciences, Hokkaido Univ2) *Chunji Takada1, Lin Qiao2, Ken-ichi Inoue1, Zhen Chen2, Shu-ping Hui2, Shen Ye1 |
| 13:00-14:40 | 2P057 | Application of vibrational circular dichroism for inorganic intercalation compounds (Graduate School of Science and Engineering, Ehime University1,Department of Science and Engineering, Chuo University2,Faculty of Medicine, Toho University3) *Hisako Sato1, Kazuyoshi Takimoto1, Hirotoshi Mori2, Akihiko Yamagishi3 |
[Clusters/particles/nanostructures]
| 13:00-14:40 | 2P058 | QM/MM ONIOM calculations of conversion from methane to ethylene on coinage Metal-exchanged ZSM-5 zeolite (Kyoto Institute of Technology) *Tomo Nagahisa, Takashi Yumura |
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| 13:00-14:40 | 2P059 | Conversion of methane to methanol using photocatalytic reaction and metal-cluster cocatalyst (Graduate School of Science, Tokyo Univ. of Sci.) *Marika Aoki, Yuki Iwamatsu, Tokuhisa Kawawaki, Yuichi Negishi |
| 13:00-14:40 | 2P060 | Oxidation states of Cu atoms adsorbed on Al oxide clusters investigated by thermal desorption spectrometry (Graduate School of Arts and Sciences, The Univ of Tokyo) *Xinan Liu, Yufei Zhang, Ken Miyajima, Satoshi Kudoh, Fumitaka Mafune |
| 13:00-14:40 | 2P061 | Synthesis, structure, and optical properties of AuSn intermetallic nanoparticles (School of Science, The Univ. of Tokyo1,ESICB, Kyoto Univ.2) *Satoshi Osugi1, Shinjiro Takano1, Tatsuya Tsukuda1,2 |
| 13:00-14:40 | 2P062 | Thermal decomposition of ruthenium carbonyl clusters investigated by thermal desorption spectrometry in the gas phase (Graduate School of Arts and Sci., Univ. Tokyo) *Ken Miyajima, Satoshi Kudo, Fumitaka Mafune |
| 13:00-14:40 | 2P063 | Shape-selective synthesis and structural control of gold nano-kompeitos utilizing metal complexes-assembled porous crystals, MMF (Graduate School of Science, The Univ. of Tokyo) *Yutaro Yamashita, Shohei Tashiro, Mitsuhiko Shionoya |
| 13:00-14:40 | 2P064 | Adsorption forms of H2O on calcium-manganese oxide clusters revealed by infrared photodissociation spectroscopy (School of Arts and Sciences, The University of Tokyo) *Satoshi Kudo, Manami Abe, Zhang Yufei, Fumitaka Mafune |
| 13:00-14:40 | 2P065 | Precise synthesis of bismuth clusters using a dendrimer template and there optical properties (Lab. Chem. Life Sci., Tokyo Tech.1,JST-ERATO2) *Risaki Hasegawa1, Tetsuya Kambe1,2, Reina Hosono1, Takane Imaoka1,2, Kimihisa Yamamoto1,2 |
| 13:00-14:40 | 2P066 | Elucidation of low-lying electronic states of molecule-adsorbed cobalt cluster ions – Near infrared photodissociation spectroscopy in helium clusters (Genesis Res. Inst.1,Toyota Tech. Inst.2) *Hideho Odaka1, Masahiko Ichihashi2 |
| 13:00-14:40 | 2P067 | Production and Characterization of nanosize charged droplets by ion mobility for further applications. (Department of Chemistry,Toho University) *Fumiaki Uchiyama, Reona Miyamoto, Yuya Oishi, Ryo Sasaki, Toshiki Sugai |
| 13:00-14:40 | 2P068 | Production and structural characterization of Au-Ag composite metal nanoparticles produced in gas phase (National Institute of Technology, Toyama College) *Naomi Sakono, Kazuki Omori, Koki Yamamoto, Naru Ishikuro |
| 13:00-14:40 | 2P069 | Reflectron time-of-flight mass spectrometer with improved ion-beam convergence (Department of Chemistry, Kyushu Univ.) *Takefumi Handa, Takuya Horio, Masashi Arakawa, Akira Terasaki |
| 13:00-14:40 | 2P070 | Influence of alkali-metal ions on vibrational spectra of formamide (Kyushu Univ.) *Kazuhiko Ohashi, Nobutaka Hikiishi, Ryotaro Wakimoto |
| 13:00-14:40 | 2P071 | Time and OPIG-DC voltage- resolved proton transfer reactions of cytochrome c Ions (Graduate School of Nanobioscience, Yokohama City Univ.) *Takaaki Iyama, Satoko Kanamori, Saki Kitamura, Wataru Kadota, Yuto Yonebayashi, Shinji Nonose |
| 13:00-14:40 | 2P072 | Measurement of the fall velocity of microparticles forming a Coulomb crystal in plasmas (Faculty of Arts & Science, Kyushu Univ.) *Kenji Furuya |
| 13:00-14:40 | 2P073 | Rapid observation of collisional reaction between two liquid droplets by spectroscopic image analysis (Gakushuin Univ.) *Shuhei Suzuki, Hiroya Asami, Jun-ya Kohno |
| 13:00-14:40 | 2P074 | Exploring SHG-active molecules in human tissue using multi-modal nonlinear optical microscopy (Graduate School of Science, Tsukuba Univ.1,Shiseido GIC2) *Daiki Kaneta1, Makiko Goto2, Mariko Egawa2, Hideaki Kano1 |
|---|---|---|
| 13:00-14:40 | 2P075 | Label-free tracking of change in molecular crowding with cell-cycle progression using Raman imaging (Faculty of Pharmaceutical Sciences, Tohoku Univ.1,Graduate School of Pharmaceutical Sciences, Tohoku Univ.2) *Daiki Shibata1, Shinji Kajimoto1,2, Takakazu Nakabayashi1,2 |
| 13:00-14:40 | 2P076 | Synthesis and quantitative characterization of coumarin caged D-luciferin (ISSP, Univ. of Tokyo1,Graduate School of Science and Technology, Gunma Univ.2,School of Materials and Chemical Technology, Tokyo Institute of Technology3,OPERANDO-OIL4,Univ. of Montreal5,Univ. of Helsinki6,Graduate School of Informatics, Nagoya Univ.7) *Junko Usukura1, Maki Kurata1, Miyabi Hiyama2, Takuma Narimatsu3, Yuji Hazama1,4, Takashi Ito1, Yuhei Hayamizu3, Xingping Qiu5, Francoise Winnik6, Nobuaki Koga7, Hidefumi Akiyama1,4 |
| 13:00-14:40 | 2P077 | Synthesis and Absorption spectrum of Coumarin caged D-luciferin (Graduate School of Science and Technology, Gunma Univ.1,ISSP, Univ. of Tokyo2,Univ. of Helsink3) *Shu Sakimoto1, Ryohei Ono1, Chiharu Suzuki1, Ryo Kumagai1, Ken-ichiro Kanno1, Francoise Winnik3, Junko Usukura2, Hideyuki Itabashi1, Miyabi Hiyama1 |
| 13:00-14:40 | 2P078 | Study on the mechanism of adsorption of amyloid-beta on an amyloid fibril by generalized-ensemble algorithm (Graduate School of Science, Nagoya Univ.) *Kohei Noda, Yuhei Tachi, Yuko Okamoto |
| 13:00-14:40 | 2P079 | Theoretical study on effects of environment around the active site on redox potential in [2Fe-2S] ferredoxin (Graduate School of Engineering Science, Osaka Univ.1,Institute for Molecular Science2) *Iori Era1, Hayato Tada1, Takuya Fujii1, Kazuki Ikenaga1, Yasutaka Kitagawa1, Masayoshi Nakano1,2 |
| 13:00-14:40 | 2P080 | Development of a coarse-grained force field based on a polar water model for biological systems (Graduate School of Engineering, Nagoya Univ.) *Yusuke Miyazaki, Susumu Okazaki, Wataru Shinoda |
| 13:00-14:40 | 2P081 | NIR-fluorescent dye for cryogenic localization microscopy (Dept. of Phys., Tokyo Tech.1,IAE, Kyoto Univ.2) *Yuta Mizouchi1, Takaki Ishii1, Eiji Nakata2, Takashi Morii2, Michio Matsushita1, Satoru Fujiyoshi1 |
| 13:00-14:40 | 2P082 | Dynamics of the helix-coil transition of alanine-based polypeptides detected by nanosecond region fluorescence correlation spectroscopy (IMRAM, Tohoku Univ.1,Graduate School of Science, Tohoku Univ.2) *Supawich Kamonprasertsuk1,2, Hiroyuki Oikawa1,2, Satoshi Takahashi1,2 |
| 13:00-14:40 | 2P083 | Development of method for molecular design of hole transport materials (Department of chemistry, Osaka Prefecture University1,The Research Institute for Molecular Electronic Devices2) *Takashi Yamaguchi1, Toshio Asada1,2, Shiro Koseki1,2 |
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| 13:00-14:40 | 2P084 | Exploration of palladium-catalyzed intramolecular cyclization reaction route using AFIR method (Nara Institute of Science and Technology (NAIST)1,Department of Pure and Applied Chemistry, Tokyo University of Science2) *Takayoshi Yoshimura1, Yohei Ogiwara2, Norio Sakai2, Miho Hatanaka1 |
| 13:00-14:40 | 2P085 | Ligand dependency of ultrafast relaxation process of photoexcited Re (I) complex (Grad. Sch. Chem. Sci. Eng., Hokkaido Univ.1,Fac. Sci., Hokkaido Univ.2,WPI-ICReDD3,NIMS4) *Hitoshi Nabata1, Kenichiro Saita2, Satoshi Maeda2,3,4 |
| 13:00-14:40 | 2P086 | Theoretical study of electronic structure of [Pt(dien)(dmap)]2I3: similarity to and difference from 1-dimentional MX-chain system (FIFC, Kyoto Univ.1,Grad. School of Sci., Tohoku Univ.2) *Masayuki Nakagaki1, Hiroaki Iguchi2, Unjila Afrin2, Masahiro Yamashita2, Shigeyoshi Sakaki1 |
| 13:00-14:40 | 2P087 | Free Energy Analyses of the Oxidation of the Mn Cluster Embedded in PSII Utilizing the QM/MM-ER Method (Graduate School of Science, Tohoku Univ.) *Hideaki Takahashi, Daiki Suzuoka, Akihiro Morita |
| 13:00-14:40 | 2P088 | Thermochemical/physical Database of Organic Compounds for Developing Thermal Energy Storage Materials (AIST, CD-FMat1,TherMAT2,AIST, NMIJ3,IMS4) Tetsuya Baba2, Yukiko Suda2, Yuichiro Yamashita3, Taichi Inagaki4, *Toyokazu Ishida1,2 |
| 13:00-14:40 | 2P089 | Development of AIMD – vibration mapping analysis : an application to a relaxation process of the excited 1,2-butadiene (Graduate School of General Chemistry, Hokkaido Univ.1,Institute for Catalysis, Hokkaido Univ.2,WPI-ICReDD, Hokkaido Univ.3,Graduate School of Science, Hokkaido Univ.4) *Rio Konishi1, Takuro Tsutsumi1, Min Gao2, Yuriko Ono3, Yu Harabuchi4, Tetsuya Taketsugu1,3,4 |
| 13:00-14:40 | 2P090 | Electron correlation and transient current in low-dimensional nanotransistor (Graduate School of Sci. & Tech., Nihon Univ.) *Katsuya Asano, Tokuei Sako |
| 13:00-14:40 | 2P091 | From wave function to particle trajectories: A stochastic dynamics approach (Graduate School of Sci. & Tech., Nihon Univ.) *Toru Iwasa, Tokuei Sako |
| 13:00-14:40 | 2P092 | Development of divide-and-conquer time-dependent density functional tight-binding method based on long-range correction method and application to photoisomerization (Department of Chemistry and Biochemistry, Waseda University1,Research Institute for Science and Engineering, Waseda University2,Elements Strategy Initiative for Catalysts and Batteries, Kyoto University3) *Nana Komoto1, Takeshi Yoshikawa2, Hiromi Nakai1,2,3 |
| 13:00-14:40 | 2P093 | Exhaustive search of the hydrogen bonding network in a protein system by quantum chemical calculations (Institute for Quantitative Biosciences, the University of Tokyo) *Naoki Tsunekawa, Chikashi Toyoshima |
| 13:00-14:40 | 2P094 | The study of conformational search and intramolecular hydrogen bond of threonine and thiothreonine (Graduate School of Informatics and Engineering, University of Electro-Communications) *Ryo Takahashi, Yoshihiro Yamakita |
| 13:00-14:40 | 2P095 | Theoretical study on molecular orientation of triiodobenzene molecular aggregates inside carbon nanotubes. (KYOTO INSTITUTE OF TECHNOLOGY) *Ryohei Miki, Takashi Yumura |
| 13:00-14:40 | 2P096 | Theoretical study on the correlation between electron density on nucleus and orbital electron capture decay in 7Be (Dep. Chem., Tokyo Metropolitan Univ) *Akira Yoshida, Minori Abe, Masahiko Hada |
| 13:00-14:40 | 2P097 | Transition dipole moments of ICN molecule with remarkable non-Condon effects: reinterpretation of the experimental results. (Faculty of Science and Technology, Keio University) *Satoshi Yabushita, Tatsuhiko Kashimura |
| 13:00-14:40 | 2P098 | Theoretical study on design of photofunctional molecular aggregates (SOKENDAI1,IMS2,ESICB3) *Takafumi Shiraogawa1, Masahiro Ehara1,2,3 |
| 13:00-14:40 | 2P099 | Crystal structure prediction of silicon carbide by artificial force induced reaction method (Department of Nanosystem Science, Yokohama City Univ.1,Department of Chemistry, Faculty of Science, Hokkaido Univ.2,Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido Univ.3,National Institute for Materials Science (NIMS)4) *Makito Takagi1, Satoshi Maeda2,3,4, Masanori Tachikawa1 |
| 13:00-14:40 | 2P100 | DFT Study of Ruthenium-Catalyzed Ammonia Oxidation Reactions (Faculty of Pharmaceutical Sciences, Toho Univ.1,Graduate School of Engineering, Univ. of Tokyo2) *Ken Sakata1, Hiroki Toda2, Kazunari Nakajima2, Yoshiaki Nishibayashi2 |
| 13:00-14:40 | 2P101 | Theoretical study on polymerization of alkyd resin catalyzed by metal complexes (Nara Institute of Science and Technology (NAIST)) *Shunsuke Nagano, Miho Hatanaka |
| 13:00-14:40 | 2P102 | [Withdraw] |
| 13:00-14:40 | 2P103 | Theoretical study of conformational and environmental effects on open-shell characters and nonlinear optical properties of asymmetric bianthrone derivatives (Graduate school of Engineering science1,Graduate school of science2,Institute for molecular science3) *Shoma Kitano1, Ryohei Kishi1, Yasukazu Hirao2, Takashi Kubo2, Masayoshi Nakano1,3 |
| 13:00-14:40 | 2P104 | Theoretical study on the adsorption and the combustion activity of saturated and unsaturated hydrocarbons on Pd (111) and Pt (111) surfaces (Graduate School of Engineering, Nagoya Univ.) *Sota Masaoka, Akihiro Tsuchiya, Atsushi Satsuma, Kyoichi Sawabe |
| 13:00-14:40 | 2P105 | Theoretical study on aromaticity, open-shell character and nonlinear optical property of a dimer composed of anti-aromatic tetracyclopentatetraphenylenes (Graduate School of Engineering Science, Osaka Univ.1,The Institute of Scientific and Industrial Research, Osaka Univ.2,National Chiao Tung Univ.3,Institute for Molecular Science4) *Ryosuke Sugiura1, Ryohei Kishi1, Takanori Nagami1, Yoshito Tobe2,3, Masayoshi Nakano1,4 |
| 13:00-14:40 | 2P106 | Quantum control of rovibrational excitations of a diatomic molecule: one-photon vs. two-photon processes (QST1,JAEA2) *Yuzuru Kurosaki1, Keiichi Yokoyama2 |
| 13:00-14:40 | 2P107 | Theoretical study of reductive dechlorination reactions by B12-TiO2 (IMCE, Kyushu University1,Graduate School of Engineering, Kyushu University2) *Kenji Imamura1, Yoshihito Shiota1, Hisashi Shimakoshi2, Yoshio Hisaeda2, Kazunari Yoshizawa1 |
| 13:00-14:40 | 2P108 | Analytic gradients of PC-NEVPT2 (Fukui Institute for Fundamental Chemistry, Kyoto University) *Yoshio Nishimoto |
| 13:00-14:40 | 2P109 | Nonadiabatic simulation of donor–acceptor model complex toward solar cell applications (R-CCS) *Noriyuki Minezawa, Takahito Nakajima |
| 13:00-14:40 | 2P110 | Theoretical analysis of hydrogen bond between anthracene-urea derivative and acetate anion (Graduate School of Pure and Applied Sciences, University of Tsukuba) *Shu Onozawa, Toru Matsui, Yoshinobu Nishimura, Kenji Morihashi |
| 13:00-14:40 | 2P111 | Theoretical study of Co (o-benzoquinone) 2 (py) 2 complex exhibiting valence tautomerism (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Department of Chemistry, Faculty of Science, Hokkaido Univ.2) *Kota Matsumoto1, Goro Maruta2, Sadamu Takeda2 |
| 13:00-14:40 | 2P112 | Non-adiabatic ab initio molecular dynamics on ultra-violet photodissociation of methylamine (Department of Materials and Life Sciences, Sophia University, Japan) *Yurika Takaku, Shinkoh Nanbu |
| 13:00-14:40 | 2P113 | Ionization dynamics of Ne-doped He clusters (Graduate school of Science and Engineering, Saitama Univ.) *Takaaki Miyazaki, Toshiyuki Takayanagi |
| 13:00-14:40 | 2P114 | Application of an automatic selection approach of Gaussian bases in von Neumann's space to electron and nuclear quantum dynamics (Graduate School of Science, Tohoku Univ.) *Kazuma Suzuki, Yuta Arai, Manabu Kanno, Hirohiko Kono |
| 13:00-14:40 | 2P115 | Verification of the defection of counterpoise method for the electron correlation term: in case of rare gases (Faculty of Engineering, Chiba Institute of Technology1,Faculty of Science and Technology, Keio University2) *Yuki Kano1, Suehiro Iwata2, Hidenori Matsuzawa1 |
| 13:00-14:40 | 2P116 | Development of second order perturbation theory with low-rank approximation for molecular aggregates (Graduate School of Science, Kyoto Univ.) *Soichiro Nishio, Yuki Kurashige |
| 13:00-14:40 | 2P117 | Theoretical study on electron chirality in enantiomer (Graduate School of Engineering, Kyoto Univ.) *Tomoki Shimizu, Masato Senami |
| 13:00-14:40 | 2P118 | Quantum chemical study for the C/Si-mixed polyhedral compounds (Graduate School of Science and Technology,Gunma Univ.) *Tamotsu Uchiyama, Takako Kudo |
| 13:00-14:40 | 2P119 | Theoretical analysis of the active site opening mechanism in olefin polymerization reaction by phenoxy-imine catalyst (Graduate School of Informatics, Nagoya University1,Core Research for Evolutional Science and Technology, Japan Science and Technology Agency2,Elements Strategy Initiative for Catalysts and Batteries, Kyoto University3,Future Value Creation Research Center, Nagoya University4) *Hirokazu Moriya1, Saha Soumen1,2,3, Yuichi Tanaka1,2, Nana Misawa1, Yuichi Suzuki1, Nobuaki Koga1,4, Masataka Nagaoka1,2,3,4 |
| 13:00-14:40 | 2P120 | Finite lengths of nanoribbons with specific structures and electronic states and its application to organic solar battery wires (Faculty of Engineering Sciences, Kyushu Univ.) *Yuriko Aoki, Yuuichi Orimoto |