Monday, September 22(Starting at 16:10)
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.You can open an abstract (pdf file) by following a link of Presentation Number from this web site.
Venue P
[Gas phase]
| 16:10-17:40 | 2P001 | Theoretical study of spin-forbidden and roaming mechanisms in the N(4S, 2D) + CH3 (2A2") reaction (Graduate School of Science and Engineering，Saitama Univ.1,Science，Saitama Univ.2,Science，Kitasato Univ.3)*Sachie Chiba1,Fuka Yoshida2,Manami Kondo3,Toshiyuki Takayanagi1 |
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| 16:10-17:40 | 2P002 | Nonadiabatic ab initio Molecular Dynamics for photoisomerization of 6-Azauracil (Fac. Sci. and Tech.)Tatsuhiro Murakami,*Soudai Takashima,Shinkoh Nanbu |
| 16:10-17:40 | 2P003 | Quantum interference spectroscopy with intense and/or attosecond laser pulses (Graduate School of Science, Tohoku Univ.1,IMS2,JST-CREST3)*Yukiyoshi Ohtsuki1,Taito Fuse1,Haruka Goto2,Hiroyuki Katsuki2,Kenji Ohmori2,3 |
| 16:10-17:40 | 2P004 | Structures and proton transfer reactions of lysozyme ions in the gas phase (Graduate School of Nanobioscience, Yokohama City Univ.)*Hideo Isono,Minami Kawashima,Hiroki Akiyama,Taiju Tanimura,Masato Miyazawa,Shinji Nonose |
| 16:10-17:40 | 2P005 | C16O/C18O isotopes-selective molecular alignment induced by an optimal laser pulse (Department of Chemistry, Graduate School of Science, Tohoku Univ.)*Kaoru Nakashima,Yukiyoshi Ohtsuki,Hirohiko Kono |
| 16:10-17:40 | 2P006 | Theoretical study on the reaction of ROOH with Cl (Toyohashi Univ. of Tech.1,AIST2)*Tatsuo Oguchi1,Akira Matsugi2 |
| 16:10-17:40 | 2P007 | Fragmentation dynamics of the C K-shell excited cis-hexafluorocyclobutane molecule probed by the Auger electron-photoion coincidence method (Hiroshima Univ.1,IMS2,SOKENDAI3)*Shun Ishikawa1,Kazumasa Okada1,Hiroshi Iwayama2,3,Eiji Shigemasa2,3 |
| 16:10-17:40 | 2P008 | Infrared spectroscopy of warm and neutral Phenol-Water clusters (Graduate School of Science, Tohoku Univ.)*Takuto Shimamori,Asuka Fujii |
| 16:10-17:40 | 2P009 | Thermal unimolecular decomposition of fluoroalkanes in the falloff region (RISS, AIST)*Akira Matsugi,Hiroumi Shiina |
| 16:10-17:40 | 2P010 | IR spectrum of ethylene cations isolated in solid Ar (National Synchrotron Radiation Research Center)*Yu-jong Wu,Sian-cong Chen,Shiang-jiun Chuang |
| 16:10-17:40 | 2P011 | Proton transfer reactions and conformation change for multiply-charged ubiquitin ions with ESI (Graduate School of Nanobioscience, Yokohama City Univ.)*Minami Kawashima,Hideo Isono,Hiroki Akiyama,Taiju Tanimura,Masato Miyazawa,Shinji Nonose |
| 16:10-17:40 | 2P012 | Excited state calculations on 1-naphthol-ammonia clusters by TD-DFT method – Size dependence on excited state proton transfer – (Tokyo Institute of Technology, Chemical Resources Laboratory)*Toshihiko Shimizu,Mitsuhiko Miyazaki,Shunpei Yoshikawa,Masaaki Fujii |
| 16:10-17:40 | 2P013 | Infrared spectroscopy of hydrogen-bonded clusters of protonated histidine (Kitasato Univ.1,Kitasato Univ.2)*Makoto Kondo1,Yasutoshi Kasahara2,Haruki Ishikawa2 |
| 16:10-17:40 | 2P014 | Entropy-driven isomer switching in Co+(H2O)4 (Kyushu Univ.1,IMS2)*Kazuhiko Ohashi1,Kazuki Furukawa1,Ken Judai2,Nobuyuki Nishi2,Hiroshi Sekiya1 |
| 16:10-17:40 | 2P015 | Microwave spectroscopy of AuSD (Faculty of Science, Shizuoka University)*Tatsuki Takahashi,Hisashi Hashimoto,Hirofumi Kubota,Emi Okabayashi,Toshiaki Okabayashi |
| 16:10-17:40 | 2P016 | Kinetics of the reaction of TiO radical with O2 (Faculty of Science, JWU)*Nami Yamakita,Rina Horisawa,Mariko Miyamoto,Shiori Takaoka,Yuki Yamasaki,Yohko Higuchi,Takashi Imajo |
| 16:10-17:40 | 2P017 | Spectroscopic investigation on the temperature effect on hydration structures of [PhOH(H2O)n]+ trapped in the temperature-variable ion trap (Kitasato Univ.1,Kitasato Univ.2)*Reona Yagi1,Yasutoshi Kasahara2,Haruki Ishikawa2 |
| 16:10-17:40 | 2P018 | Dynamics study of photodissociation mechanism of methylamine by measuring the state-resolved scattering distribution (Graduate School of Science, Hiroshima Univ.)*Yuuki Onitsuka,Yasunori Kohge,Katsuyoshi Yamasaki,Hiroshi Kohguchi |
| 16:10-17:40 | 2P019 | The observation of Doppler profile of photoelectrons emitted from Rydberg oxygen atom following O 1s inner-shell excitation of CO2 (Graduate School of Material science, University of Hyogo1,UVSOR Facility Institute Of Molecular Science2)*Katsumi Myojin1,Tatsuo Gejo1,Takahiro Tajiri1,Kenji Honma2,Hiroshi Iwayama2,Eiji Shigemasa2 |
| 16:10-17:40 | 2P020 | Conformational analysis of the ethylene oxide-ethylene sulfide complex using Fourier transform microwave spectroscopy and quantum chemical calculations (Kanagawa Inst Tech1,Grad Univ Adv Study2)*Takayuki Mase1,Yoshiyuki Kawashima1,Eizi Hirota2 |
| 16:10-17:40 | 2P021 | Rate constants of ScO, VO radical with O2 molecule. (Japan Women's University Faculty of Science)*Takashi Imajo,Ayako Otsubo,Nami Yamakita |
| 16:10-17:40 | 2P022 | Interference effects in electron momentum profile of the highest occupied molecular orbital of CO2 (IMRAM, Tohoku University)*Isao Nakajima,Masakazu Yamazaki,Noboru Watanabe,Masahiko Takahashi |
[Clusters/particles/nanostructures]
| 16:10-17:40 | 2P023 | Polarized scattering spectra from a tip for tip-enhanced Raman scattering (AIST Shikoku1,UNISOKU2,School of Sci. and Tech., Kwansei Gakuin Univ.3)*Yasutaka Kitahama1,Toshiaki Suzuki2,Yukihiro Ozaki3,Tamitake Itoh1 |
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| 16:10-17:40 | 2P024 | Structural investigation of LB films and microcrystals fabricated with amphiphilic fullerene derivatives (Aichi Univ. of Education)*Kazuyuki Hino,Mariko Inuduka,Yukako Hattori,Narumi Kawai,Tomohiro Ida,Hirofumi Nakano,Kouji Miura |
| 16:10-17:40 | 2P025 | Study on mechanochemical water splitting and mechanism of H2 production (Faculty of Science, Hiroshima Univ.1,N-BARD, Hiroshima Univ.2,Graduate School of Science, Hiroshima Univ.3)*Nanami Inubuse3,Ken-ichi Saitow1,2,3 |
| 16:10-17:40 | 2P026 | Cluster-size dependence of thermal stability of Pt cluster disk constructed on silicon substrate (Genesis Res.Inst.Inc.1,Toyota.tech.Inst.2)*Nobuyuki Fukui1,Hisato Yasumatsu2 |
| 16:10-17:40 | 2P027 | Local Optical Activity in Achiral 2D Gold Nanostructures (The Graduate Univ. for Advanced Studies1,Inst. Mol. Sci.2)*Shun Hashiyada1,2,Tetsuya Narushima1,2,Hiromi Okamoto1,2 |
| 16:10-17:40 | 2P028 | Syntheses and analyses of Pt nanoparticles on the cathode of dye sensitized solar cells (Dept. of Chem., Fac. of Sci., Josai Univ.)*Nami Asano,Ryo Furugori,Koichiro Mitsuke |
| 16:10-17:40 | 2P029 | Exciton dynamics of silicon quantum dots –near-IR intraband transient absorption and time-resolved luminescence spectroscopy– (School of Science and Technology, Kwansei Gakuin Univ.1,Graduate School of Material Science, University of Hyogo2)Dong Chen1,Yuki Tomizawa1,Tomoki Okuhata1,Li Wang1,Seiichi Sato2,Hiroshi Yao2,*Naoto Tamai1 |
| 16:10-17:40 | 2P030 | Spectral characteristics of gold nanodisks and their one-dimensional arrays (Institute for molecular science1,The graduate university for advance studies2)*Yasuyuki Kowaka1,Tetsuya Narushima1,2,Yoshio Nishiyama1,Hiromi Okamoto1,2 |
| 16:10-17:40 | 2P031 | Laser fabrication and optical characterization of plasmonic nanostructures (Waseda Univ.)*Yuki Hirano,Kohei Imura |
| 16:10-17:40 | 2P032 | Theoretical studies on magnetic interaction and electric conductivity of TOT dimer (Graduate School of Science, Osaka Univ.)*Keiji Kinoshita,Takashi Kawakami,Yasutaka Kitagawa,Shusuke Yamanaka,Mitsutaka Okumura |
| 16:10-17:40 | 2P033 | Surface-enhanced raman and surface-enhanced hyper-raman scattering measurements from optically-trapped silver nanoparticles (Graduate School of Science and Engineering, Kwansei Gakuin Univ.1,AIST shikoku2)*Hiroaki Hayashi1,Yasutaka Kitahama2,Tamitake Itou2,Yukihiro Ozaki1 |
| 16:10-17:40 | 2P034 | Geometry search and electronic properties of boron-doped aluminum cluster anion of B2Al21- (JST-ERATO1,Keio University2)*Takeshi Iwasa1,2,Atsushi Nakajima1,2 |
| 16:10-17:40 | 2P035 | Density functional theory calculation study on structural properties of metal atoms on graphene oxides (Graduate School of Science and Technology, Kyoto Institute of Tech.1,Graduate School of Natural Science and Technology, Okayama Univ.2)*Ayumi Yamasaki1,Takashi Yumura1,Hisayoshi Kobayashi1,Kazuma Gotoh2,Yasushige Kuroda2 |
| 16:10-17:40 | 2P036 | Theoretical study of solvation clusters of hyper valence radicals, H3O(H2O)n and NH4(NH3)n (Graduate School of Science and Engineering, Tokyo Metropolitan Univ.)*Kiyoaki Kitayama,Hibiki Iwase,Masaki Mamiya,Kenro Hashimoto |
| 16:10-17:40 | 2P037 | Car-Parrinello dynamics study on oxidation mechanism of CO on Au8 and Au7Cu alloy clusters (IMS1,ESICB2,IPCSM3)*Kenichi Koizumi1,2,Mauro Boero3,Katsuyuki Nobusada1,2 |
[Liquid phase]
| 16:10-17:40 | 2P038 | The dynamics of non-ionic molecules in aqueous solution studied by two-dimensional infrared spectroscopy (Graduate School of Science, Kobe Univ.1,Department of Chemistry, Biology and Marine Science, Univ. Ryukyu2,Molecular Photoscience Research Center, Kobe Univ.3,Institute for Molecular Science4)*Masaki Okuda1,Masahiro Higashi2,Kaoru Ohta3,Shinji Saito4,Keisuke Tominaga1,3 |
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| 16:10-17:40 | 2P039 | Influence for volume factor in fluctuation analysis of supercritical n-pentane aqueous solution (Graduate School of Advance Integration Science, Chiba Univ.)*Satoshi Shibuta,Keiko Nishikawa,Takeshi Morita |
| 16:10-17:40 | 2P040 | Observation of phase behavior of ionic liquid (C8mim)BF4 by dielectric spectroscopy (Graduate School of Science, Fukuoka Univ.)*Takuya Takamatsu,Akihiko Nimonji,Keisuke Watanabe,Keishi Negita |
| 16:10-17:40 | 2P041 | The structure-activity relationship of local anesthetics for variation of hydrophobic of indomethacin (Graduate School of Pharmacy, Tokyo University of Science1,Faculty of Pharmacy,Tokyo University of Science2)*Ryo Tateuchi1,Yohsuke Shimada2,Satoru Goto2 |
| 16:10-17:40 | 2P042 | Phase behaviors based on conformational flexibilities of ionic liquids (Graduate School of Advanced Integration Science, Chiba Univ.1,Center for Analytical Instrumentation, Chiba Univ.2)*Yuichi Shimizu1,Takuya Yamamoto1,Kozo Fujii1,Mamoru Imanari2,Takeshi Morita1,Keiko Nishikawa1 |
| 16:10-17:40 | 2P043 | Pump-probe spectroscopy for liquid using X-ray free electron laser SACLA (理研・分子反応ダイナミクス1,東京農工大院・工2,JASRI3,京大院・理4,理研・SPring-85)*Yoshihiro Ogi1,Yuki Obara2,Tetsuo Katayama3,Suet yi Liu1,Nathaniel c.-m. Bartlett1,Takayuki Suzuki2,Naoya Kurahashi4,Shutaro Karashima4,Yuhei Chiba2,Yusuke Isokawa2,Tadashi Togashi5,Yuichi Inubushi5,Makina Yabashi5,Kazuhiko Misawa2,Toshinori Suzuki1,4 |
| 16:10-17:40 | 2P044 | Study on the excitation wavelength dependence of the solvation dynamics in ionic liquids (Department of Science and Engineering, Doshisha Univ.)*Yoshifumi Kimura,Mako Shibuya,Nobutaka Araki,Yoshiro Yasaka,Masakatsu Ueno |
| 16:10-17:40 | 2P045 | Photochemical dehydrogenation of methanol by 2-aminophenolato 3d metal complexes (Faculty of Science and Engineering, Chuo Univ.)*Ryota Tanaka,Masanori Wakizaka,Takeshi Matsumoto,Ho-chol Chang |
| 16:10-17:40 | 2P046 | Mechanism of aggregation-induced emission studied by time-resolved fluorescence spectroscopy (Graduate School of Science, Kobe Univ.1,Molecular Photoscience Research Center, Kobe Univ.2)*Yasunori Matsunae1,Seiji Akimoto1,2,Keisuke Tominaga1,2 |
| 16:10-17:40 | 2P047 | Measurement of quenching rate constants of singlet oxygen by amines in ionic liquids (Tokyo Tech)*Mai Kato,Tsuyoshi Yoshida,Akio Kawai |
| 16:10-17:40 | 2P048 | Dye molecules fluorescence and quenching by anion in ionic liquid (Graduate School of Science and Engineering, Tokyo Tech.)*Yoshinobu Shimayama,Tomoya Hirano,Akio Kawai |
[Solid phase]
| 16:10-17:40 | 2P049 | Development of spin transition complexes exhibiting intermolecular proton transfer (IGSES Kyushu Univ1,IMCE Kyushu Univ2)*Takumi Nakanishi1,Osamu Sato2 |
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| 16:10-17:40 | 2P050 | Coulomb blockade behavior of Cytochrome cand variety DNA (Osaka Univ.1,Univ. of Fukui2)*Harumasa Yamaguchi1,Dock-chil Che1,Yoshiaki Hirano2,Takuya Matsumoto1 |
| 16:10-17:40 | 2P051 | The Formation of Free-standing Thin-film and ionic conductivity of novel rotator-phase compounds using per fluoroborate (Deperment of Materials Science, NIT, Yonago College)*Susumu Tanaka,Fadlil Muhammad,Taeko Odawara |
| 16:10-17:40 | 2P052 | Molecular conformation and vibration in the single crystals of histidine and histidine salts (Kitasato University1,Kitasato University2)*Yasutoshi Kasahara1,Makoto Kondo2,Haruki Ishikawa1 |
| 16:10-17:40 | 2P053 | Study of S0→S3 transition of solid benzene by using attenuated total reflection far-ultraviolet spectroscopy and quantum chemical calculations : electronic state of benzene crystals (Kwansei Gakuin Univ.1,Kinki Univ.2,Institute for Molecular Science3)*Yuuki Uematsu1,Yusuke Morisawa2,Masahiro Ehara3,Yukihiro Ozaki1 |
| 16:10-17:40 | 2P054 | Molecular dynamics and proton conductivity in alginic acid-imidazole composite (Graduate School of Natural Science and Technology, Kanazawa Univ.)*Takuma Chikai,Ryutaro Ohashi,Tomonori Ida,Motohiro Mizuno |
| 16:10-17:40 | 2P055 | Hydrogen molecular ion irradiation to zinc oxide thin film and in-situ variable temperature conductivity measurement (Graduate School of Science, Kyoto Univ.1,Graduate School of Engineering, Kyushu Univ.2,JST-CREST3)*Ryo Nakayama1,Mitsuhiko Maesato1,Takashi Nagaoka2,Makoto Arita2,Hiroshi Kitagawa1,3 |
| 16:10-17:40 | 2P056 | Effects of solid-solid phase transition of acetonitrile crystal on the stabilization of the excited state and intramolecular proton transfer in chromophores (Kyushu Univ.1,Chiba Inst. of Tech.2,Hiroshima Univ.3)*Yuki Fujimoto1,Kazuki Furukawa1,Norifumi Yamamoto2,Kiichi Amimoto3,Hiroshi Sekiya1 |
| 16:10-17:40 | 2P057 | Crystal Structure and Magnetic Properties of Hydrogen-bonded Magnetic Materials with Low-dimensional Stucture (Graduate School of Natural Science)*Wataru Fujita |
| 16:10-17:40 | 2P058 | Melting behavior of benzene confined within mesoporous silica (Graduate School of Integrated basic sciences, Nihon University1,Graduate School of science, Osaka University2)*Natsumi Tomita1,Atsushi Nagoe2,Hiroki Fujimori1 |
| 16:10-17:40 | 2P059 | Crystal structures and fluorescence emission properties of cyano-substituted diphenylpolyenes (AIST ESPRIT1,AIST NRI2)*Yoriko Sonoda1,Midori Goto2,Yasuo Norikane1,Reiko Azumi1 |
| 16:10-17:40 | 2P060 | Preparation and functionality of viologen radical salts having stable radical as counter anion (Graduate School of Material Science, University of Hyogo.)*Yuta Kawahara,Hiroki Akutsu,Jun-ichi Yamada,Shin-ichi Nakatsuji |
| 16:10-17:40 | 2P061 | Development of a sample scanning system and determination of time origin toward time-resolved X-ray diffraction measurements for solid samples. (Graduate School of Science,Tohoku Univ.)*Akio Kubota,Hikaru Sotome,Shinji Kajimoto,Hiroshi Fukumura |
| 16:10-17:40 | 2P062 | Structures and proton conductivities of novel co-crystals which consist of dicarboxylic acids and imidazole derivatives (The Institute for Solid State Physics, The University of Tokyo)*Keisuke Suzuki,Junya Yoshida,Akira Ueda,Hatsumi Mori |
| 16:10-17:40 | 2P063 | Systematic Study on Structure and Physical Properties of Hydrogen-bonded-unit-type Organic Conductors β'-[H3(Cat-EDO-TTF)2]X (X = BF4, ClO4, PF6, AsF6) in terms of the counter anions. (Institute for Solid State Physics, The University of Tokyo1,Comprehensive Research Organization for Science and Society(CROSS)2,KEK3)*Junya Yoshida1,Akira Ueda1,Akiko Nakao2,Reiji Kumai3,Hironori Nakao3,Youichi Murakami3,Hatsumi Mori1 |
| 16:10-17:40 | 2P064 | Electrical and magnetic behavior of unpaired electrons of copper(Ⅱ) dithiolene complexes (Graduate School of Science and Engineering, Ehime Univ.)*Hiroki Noma,Keishi Ohara,Toshio Naito |
| 16:10-17:40 | 2P065 | Solvatochromic Nafion Membranes Incorporating Metal Complexes (Graduate School of Science, Kobe Univ.)*Hitoshi Hosokawa,Yusuke Funasako,Tomoyuki Mochida |
| 16:10-17:40 | 2P066 | Chromic and electric properties of ionic crystal consisted of TTFPy-Ni complex and [SiW12O40]4- anion (Graduate School of Science and Engineering Yamaguchi University)*Yusuke Baba,Takumi Matsumoto,Ryo Tsunashima |
| 16:10-17:40 | 2P067 | Structural and physical properties of molecular conductors based on fused TTF-DT and TTF donors with a dithiane ring (Graduate School of Material Science, Univ. of Hyogo1,Graduate School of Science, Osaka Univ.2)*Yuto Hachiken1,Hiroki Akutsu2,Shin-ichi Nakatuji1,Jun-ichi Yamada1 |
| 16:10-17:40 | 2P068 | Structural and physical properties of molecular conductors based on new DHTTF donors (Graduate School of Material Science, Univ. of Hyogo1,Graduate School of Science, Osaka Univ.2)*Tatsuya Ishikawa1,Hiroki Akutsu2,Shin-ichi Nakatsuji1,Jun-ichi Yamada1 |
| 16:10-17:40 | 2P069 | Structures and properties of functional diradical compounds. (University of Hyogo)*Kouki Fujikura,Yuuki Imai,Hiroki Akutsu,Jun-ichi Yamada,Shin-ichi Nakatsuji |
| 16:10-17:40 | 2P070 | Design of organic ionic crystals for ferroelectrics (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2)*Takafumi Shimojo1,Jun Harada1,2,Yukihiro Takahashi1,2,Tamotsu Inabe1,2 |
| 16:10-17:40 | 2P071 | Response to external stimuli on a charge-transfer salt composed of an organic acceptor and a metal-complex donor (Rikkyo Univ.)*Rikako Tanaka,Nobuyuki Matsushita |
| 16:10-17:40 | 2P072 | Synthesis and Properties of New Thienoisoindigo based D-A Oligomers (Graduate School of Engineering, Tokyo Institute of Technology)*Tsukasa Hasegawa,Minoru Ashizawa,Hidetoshi Matsumoto |
[Surface/Interface]
| 16:10-17:40 | 2P073 | Scanning tunneling microscopy observation of the self-assembly of a Y shaped supramolecule on gold surface (ISIR Osaka Univ.1,School of Science and Technology, Kwansei Gakuin Univ.2)*Hiroyuki Tanaka1,Hitoshi Tozawa2,Toshiyuki Hamura2,Masateru Taniguchi1 |
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| 16:10-17:40 | 2P074 | Physical properties and structure of partially fluorinated dimyristoylphosphatidylcholine bilayer (Graduate School of Science and Technology, Gunma Univ.1,Research Center for Stem Cell Engineering, AIST2,ICR, Kyoto Univ.3)Kohei Morita1,Hiroshi Takahashi1,Hideki Amii1,Toshiyuki Takagi2,Toshiyuki Kanamori2,Takeshi Hasegawa3,*Masashi Sonoyama1 |
| 16:10-17:40 | 2P075 | Investigating the Adsorption Behavior of Hematin at Lipid/Water Interface Using Heterodyne-Detected Electronic Sum Frequency Generation Spectroscopy (Molecular Spectroscopy Laboratory, RIKEN, Japan1,Ultrafast Spectroscopy Research Team, RIKEN Center for Advanced Photonics, Japan2,Department of Chemistry, University of Cape Town, South Africa3)*Aniruddha Adhikari1,Satoshi Nihonyanagi1,2,Shoichi Yamaguchi1,2,Timothy john Egan3,Tahei Tahara1,2 |
| 16:10-17:40 | 2P076 | Correlation between deformation mode and DNA-catalyst complexes in the artificial cell based on a vesicle including DNA (Graduate School of Sciences, The Univ. of Tokyo1,Okazaki Institute for Integrative Bioscience2,Faculty of Science, Kanagawa Univ.3)*Muneyuki Matsuo1,Kensuke Kurihara2,Taro Toyota1,Tadashi Sugawara3 |
| 16:10-17:40 | 2P077 | Molecular dynamics study of a boundary condition for the Boltzmann equation at a vapor/liquid interface (Department of Science and Engineering, University of Toyama)*Tatsuya Ishiyama |
| 16:10-17:40 | 2P078 | Surface analysis of methanol/water mixture using computer program "CALNOS" for analyzing SFG (Graduate School of Science, Tohoku Univ.1,Graduate School of Science and Engineering, University of Toyama2)*Takashi Ishihara1,Tatsuya Ishiyama2,Akihiro Morita1 |
| 16:10-17:40 | 2P079 | Scanning Tunneling Microscope Observation of Single Molecule Magnet, Double Decker Porphyrine Complex (Graduate School of Science,Tohoku Univ.1,Graduate School of Science,Osaka Univ.2)*Mizu Kajihara1,Jie Liu1,Daichi Makinae1,Tadahiro Komeda1,Tomoko Inose2,Daisuke Tanaka2,Takuji Ogawa2 |
| 16:10-17:40 | 2P080 | Theoretical calculations on absorption of Cs and CsI to fullerenes (Japan Atomic Energy Agency)*Takanori Kobayashi,Keiichi Yokoyama |
| 16:10-17:40 | 2P081 | Molecular dynamics study of surface structure of water and its bending mode (Graduate School of Science, Tohoku Univ1,Graduate School of Science and Engineering, Toyama Univ2)*Shogo Tanaka1,Tatsuya Ishiyama2,Akihiro Morita1 |
| 16:10-17:40 | 2P082 | DFT study on stability of the adsorption structure of Ru dye on TiO2 via NCS group for dye-sensitized solar cell applications (NIMS MANA1,JST-CREST2,ESICB, Kyoto Univ.3,JST-PREST4)*Yusuke Ootani1,2,Keitaro Sodeyama1,3,Liyuan Han1,2,Yoshitaka Tateyama1,2,3,4 |
[Biomolecules]
| 16:10-17:40 | 2P083 | Relationship between infrared 13C＝18O doublet band and residue-level conformation of peptide with isotope labels at consecutive two residues (Graduate School of Parmaceutical Sciences, Tohoku Univ.)*Hitomi Okabe,Hirotugu Hiramatsu,Takakazu Nakabayashi |
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| 16:10-17:40 | 2P084 | Structural Analysis of Ferredoxin -NADP+- Reductase by Molecular Dynamics Simulation (Graduate School of Naturalo Science and Technology, Kanazawa University)*Ryoma Kanno,Tomonori Ida,Daisuke Seo,Motohiro Mizuno |
| 16:10-17:40 | 2P085 | Non-site-specific allosteric effect of oxygen on human hemoglobin under high oxygen partial pressure (Graduate School of Information Science, Nagoya Univ.1,CREST-JST2)*Masayoshi Takayanagi1,2,Ikuo Kurisaki1,Masataka Nagaoka1,2 |
| 16:10-17:40 | 2P086 | Conformational search of amyloid beta peptide (School of Pharmacy, Tokyo Univ. of Pharmacy and Life Sci.)*Satoshi Yokojima |
| 16:10-17:40 | 2P087 | Theoretical analysis of molecular interactions in secondary structures of proteins (IPR, Osaka Univ.)*Yu Takano,Ayumi Kusaka,Haruki Nakamura |
| 16:10-17:40 | 2P088 | Simulation study on the c-terminal domain of RNA polymerase (Kinki Univ. IAT)*Yasushige Yonezawa |
| 16:10-17:40 | 2P089 | Prediction solvation free energy of organic compounds: molecular dynamics simulation and QSPR model approach (Graduate School of Natural Science and Technology, Kanazawa University, Japan1,Graduate School of Mathematics and Natural Science, Bandung Institute of Technology, Indonesia2)*Sri r. Natasia1,2,Hiroaki Saito1,Kazutomo Kawaguchi1,Hidemi Nagao1 |
| 16:10-17:40 | 2P090 | Molucular dynamics study of stability of multilamellar membranes (Graduate School of Science and Technology, Kanazawa University)*Yuma Tanaka,Hiroaki Saito,Kazutomo Kawaguchi,Hidemi Nagao |
| 16:10-17:40 | 2P091 | Theoretical study on structual stability of the lipid bilayer in the stomach (Graduate School of Natural Science and Technology, Kanazawa University)*Shogo Horiguchi,Hiroaki Saito,Kazutomo Kawaguchi,Hidemi Nagao |
[Theory/calculation]
| 16:10-17:40 | 2P092 | Adsorption of metal cluster on metal oxide surface: theoretical study with energy density analysis method (Research institute of science and engineering, Waseda university1,Graduate school of advanced science and engineering, Waseda university2,ESICB, Kyoto university3,JST-CREST4)*Atsushi Ishikawa1,Hiromi Nakai2,3,4 |
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| 16:10-17:40 | 2P093 | AIMD simulation of IR spectra of crystals of sulfonic acid hydrates (FC-Cubic1,ＡＩＳＴ2)*Makoto Yamaguchi1,Akihiro Ohira1,2 |
| 16:10-17:40 | 2P094 | Theoretical study of hydrogenated metal clusters by electronic stress tensor density (Department of Micro Engineering, Kyoto Univ.)*Hidenori Miyamoto,Hiroo Nozaki,Kazuhide Ichikawa,Akitomo Tachibana |
| 16:10-17:40 | 2P095 | A quantum chemical study on electronic state and reactivity of germanene (Yokohama National University)*Daisuke Hoshino,Kota Sato |
| 16:10-17:40 | 2P096 | Theoretical study for the NICS of the Si/C -mixed polyhedral compounds (Graduate School of Science and Technology, Gunma Univ.)*Tamotsu Uchiyama,Takako Kudo |
| 16:10-17:40 | 2P097 | A theoretical investigation on the structure and dynamics of crystalline molecular gyroscopes (Graduate School of Science, Tohoku University1,Department of Chemistry, De La Salle University - Manila2,Faculty of Pharmaceutical Sciences, Tokushima Bunri University3,Graduate School of Science, Nagoya University4)*Wilfredo credo Chung1,2,Tomohito Kobayashi1,Kazuo Ikeda1,Anant babu Marahatta1,Manabu Kanno1,Wataru Setaka3,Stephan Irle4,Hirohiko Kono1 |
| 16:10-17:40 | 2P098 | Coordination structure and reactivity of lactone in the vicinity of cyclodextrin dimer (Graduate School of Information Science, Nagoya Univ.1,CREST-JST2)*Shoko Ito1,Masayoshi Takayanagi1,2,Masataka Nagaoka1,2 |
| 16:10-17:40 | 2P099 | Quantum chemical investigation of covalent organic frameworks (Graduate School of Science, Nagoya Univ.1,Institute for Molecular Science2)*Taku Hayashi1,Stephan Irle1,Donglin Jiang2 |
| 16:10-17:40 | 2P100 | Theoretical study of the optical properties of Au complexes. (Grad. Sch. of Sci., Osaka Univ.)*Atsushi Oguni,Shusuke Yamanaka,Sachio Hayashi,Yasutaka Kitagawa,Takashi Kawakami,Takumi Konno,Mitsutaka Okumura |
| 16:10-17:40 | 2P101 | Searching for isomerization pathways of C6H6 by using the GRRM/SCC-DFTB method and these equilibrium structures optimized by heigher calculation level (Graduate School of Systems Engineering, Wakayama Univ.1,Research Fellow of Institute for Quantum Chemical Exploration2,Faculty of Systems Engineering, Wakayama Univ.3,Institute for Quantum Chemical Exploration4,Grad. Sch. Sci. Tohoku Univ.5)*Hiroaki Tokoyama1,2,Hideo Yamakado3,Koichi Ohno4,5 |
| 16:10-17:40 | 2P102 | Theoretical analysis on stability of Au complexes crystals containing peculiar ionic clusters (Grad. Sch. of Sci., Osaka Univ.)*Yudai Kondo,Shusuke Yamanaka,Sachio Hayashi,Yasutaka Kitagawa,Takashi Kawakami,Asako Igashira-kamiyama,Takumi Konno,Mitsutaka Okumura |
| 16:10-17:40 | 2P103 | A variational path integral molecular dynamics study of a water molecule using a higher order density matrix (School of Mathematics and Physics, Kanazawa Univ.)*Yuki Kamibayashi,Shinichi Miura |
| 16:10-17:40 | 2P104 | Analysis of physical properties of LiCoO2 cluster by local electric conductivity (Graduate School of Engineering, Kyoto Univ)*Keitaro Tagawa,Masato Senami,Akitomo Tachibana |
| 16:10-17:40 | 2P105 | Theoretical analysis for stable structures of atmospheric ion NO3-(HNO3)2 and its water cluster (Graduate School of Nanobioscience, Yokohama City Univ.)*Atsuko Ueda,Yukiumi Kita,Masanori Tachikawa |
| 16:10-17:40 | 2P106 | Search for atomic and molecular cluster structures by the single component artificial force induced reaction method (Graduate School of Chemical Science and Engineering, Hokkaido Univ.1,Graduate School of Science, Hokkaido Univ.2,ESICB, Kyoto Univ.3)*Makito Takagi1,Satosi Maeda2,3,Tetuya Taketugu2,3 |
| 16:10-17:40 | 2P107 | A Theoretical Study of Molecular Orbitals Localized at Edges in Pentaheptite Nanotubes (Meiji Pharmacuetical University)*Noriyuki Mizoguchi |
| 16:10-17:40 | 2P108 | Theoretical study of nuclear magnetic shielding constant with multi-component density functional theory (Graduate School of Science, Yokohama City Univ.)*Ai Hidaka,Yusuke Kanematsu,Yukiumi Kita,Masanori Tachikawa |
| 16:10-17:40 | 2P109 | Essentially exact ground-state calculations by superpositions of nonorthogonal Slater determinants (Graduate School of Engineering, Osaka Univ.)*Akihiko Okimura,Kikuji Hirose,Hidekazu Goto |
| 16:10-17:40 | 2P110 | Conformational memory in photodissociation of formic acid in Ar matrix: Excited-State QM/MM-MD simulation (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Graduate School of Science, Hokkaido Univ.2,Catalysis Research Center, Hokkaido Univ.3)*Keisuke Niimi1,Akira Nakayama3,Satoshi Maeda2,Tetsuya Taketsugu2 |
| 16:10-17:40 | 2P111 | A theoretical study of coarse grained model system for virus capsid formation: assembly process based on density functional theory of molecular liquid (Department of Molecular Engineering, Kyoto Univ.1,ESICB, Kyoto Univ.2)*Yoshihiro Matsumura1,Hirofumi Sato1,2 |
| 16:10-17:40 | 2P112 | Ultrafast conversion from polyhydroxy fullerenes to carbon nanoflakes: DFT and DFTB study (Gradiate School of Science, Tohoku Univ.1,Graduate School of Systems Engineering, Wakayama University2,IQCE Research Fellow3,Faculty of Systems Engineering, Wakayama University4,Institute for Quantum Chemical Exploration5,Graduate School of Science, Nagoya University6)Akinobu Ikeda1,*Manabu Kanno1,Wilfredo credo Chung1,Hiroaki Tokoyama2,3,Hideo Yamakado4,Koichi Ohno5,Stephan Irle6,Hirohiko Kono1 |
| 16:10-17:40 | 2P113 | Theoretical study of substituent effects on the ground and excited state electronic structures and optical response properties of open-shell 1,3-diradical compounds (Graduate School of Engineering Scinece, Osaka Univ.1,Department of Chemistry Graduate School of Science Hiroshima University2)*Michika Saito1,Ryohei Kishi1,Keisuke Morita1,Manabu Abe2,Masayoshi Nakano1 |
| 16:10-17:40 | 2P114 | Electronic structure of selenate-protected Au nanocluster Au24(SePh)20 (ESICB, Kyoto Univ.1,IMS2,RIKEN AICS3,FIFC, Kyoto UNiv.4)*Nozomi Takagi1,Kazuya Ishimura2,Masafuyu Matsui1,Ryoichi Fukuda2,Toru Matsui3,Takahito Nakajima3,Masahiro Ehara2,Shigeyoshi Sakaki4 |
| 16:10-17:40 | 2P115 | Free energy analyses for ATP hydrolysis by using massively parallel QM/MM-ER simulations (Graduate School of Science , Tohoku Univ.)*Yuji Miki,Hideaki Takahashi,Akihiro Morita |
| 16:10-17:40 | 2P116 | RESP charge for proteins based on the canonical molecular orbital calculation (School of Engineering, The University of Tokyo1,Institute of Industrial Science, the University of Tokyo2)*Taehwan Kim1,Fumitoshi Sato2,Toshiyuki Hirano2 |
| 16:10-17:40 | 2P117 | Simulating the two-dimensional electronic spectra of retinal in rhodopsin during photoisomerization (Graduate School of Science, Kyoto University1,max planck institute for structure and dynamics of matter2)*Taisuke Hasegawa1,Yoshihiro Uchida1,Marwa Farag2,Shigehiko Hayashi1 |
| 16:10-17:40 | 2P118 | Global search for stable conformations of amyloid-β (1–42) dimer and (9–42) dimer in explicit water: Replica exchange MD and ab initio fragment MO calculations (Toyohashi University of Technology)*Akisumi Okamoto,Hiromi Ishimura,Atsushi Yano,Kazuya Nomura,Noriyuki Kurita |
| 16:10-17:40 | 2P119 | Rare event analysis based on minimum action (JAEA)*Motoyuki Shiga |
| 16:10-17:40 | 2P120 | Theoretical study on mechanism during the S2→S3 transition of OEC: reaction steps of electron and proton transfers and insertion of water molecule (Graduate School of Engineering, Mie Univ.)*Tomoya Ichino,Masaki Mitani,Yasunori Yoshioka |
| 16:10-17:40 | 2P121 | Change of specific interactions between the dimer of lactose repressor protein and DNA induced by ligand-binding : MD and ab initio FMO calculations (Toyohashi Univ. of Technology)Yuki Matsushita,Kanako Shimamura,Masato Oishi,Tatsuya Ohyama,*Noriyuki Kurita |
| 16:10-17:40 | 2P122 | Statistical analyses on inter-fragment interaction energy change in the induced-fit process of NylB by using fragment molecular orbital (FMO) method. (Graduate School of Engineering Scinece, Osaka Univ.1,Graduate School of Pure and Applied Sciences of Tsukuba2,Institute of Industrial Science, the University of Tokyo3,NIHON University School of Dentistry4,Department of Chemistry and Research Center for Smart Molecules, Faculty of Science, Rikkyo University5)*Hiroyuki Ando1,Takeshi Baba1,Yasuteru Shigeta2,Chiduru Watanabe3,Yoshio Okiyama3,Kaori Fukuzasa4,Yuuji Mochiduki3,5,Masayoshi Nakano1 |
| 16:10-17:40 | 2P123 | A DFT analysis of structual alternations in the Ca2+-binding sites in the Ca2+ pump arising from the Gln mutation of the gating residue Glu309 (Institute of Molecular and Cellular Biosciences, The Univ. of Tokyo)*Naoki Tsunekawa,Chikashi Toyoshima |
| 16:10-17:40 | 2P124 | Theoretical study of the dioxygenation reaction in copper-containing dioxygenase (Graduate School of Science, Osaka Univ.1,Institute for Academic Initiatives, Osaka Univ.2)*Toru Saito1,2,Yasutaka Kitagawa1,Takashi Kawakami1,Shusuke Yamanaka1,Mitsutaka Okumura1 |
| 16:10-17:40 | 2P125 | Nuclear quantum effect on adenine-thymine pair with a water molecule (Graduate School of Nanobioscience, Yokohama City Univ.)*Sara Watanabe,Yudai Ogata,Tsutomu Kawatsu,Masanori Tachikawa |
| 16:10-17:40 | 2P126 | Theoretical Study on Ligand Recognition and Response in Adrenergic Receptor (Faculty of Pharmacy, Yasuda Women's Univ.)*Yasuyo Shimodo,Hitomi Kimura,Akira Shibata |
| 16:10-17:40 | 2P127 | Density functional study of O2-binding to the Fe(II) active site of extradiol-cleaving dioxygenase (Graduate School of Engineering, Nagoya Inst. Tech.1,Dept. Chem., Stanford Univ.2,Faculty of Regional Studies, Gifu Univ.3)*Yuko Wasada-tsutsui1,Kyle Sutherlin2,Hiroaki Wasada3,Edward Solomon2 |
| 16:10-17:40 | 2P128 | Comparison of the replica-permutation molecular dynamics with and without detailed balance conditions and its application to biomolecules (IMS1,Sokendai2)*Hiroaki Nishizawa1,Hisashi Okumura1,2 |
| 16:10-17:40 | 2P129 | A QM/MM study on molecular structures of HIV protease complexes (Dept. of Chemistry, Univ. of Tsukuba)*Tomoaki Kandastu,Kenji Morihashi |
| 16:10-17:40 | 2P130 | A QM/MM study of catalytic mechanism of nitrile hydratase (Grad. Sch. Sys. & Info. Engi., Univ. Tsukuba1,Grad. Sch. Pure & Appl. Sci., Univ. Tsukuba2)*Megumi Kayanuma1,Mitsuo Shoji2,Yasuteru Shigeta2 |
| 16:10-17:40 | 2P131 | Theoretical study of NO reduction on dinuclear ruthenium complex (IMCE, Kyushu Univ.1,ESICB, Kyoto Univ.2,Nagasaki Univ.3)*Tatsuya Suzuki1,Yoshihito Shiota1,Sajith P. k.1,Hiromasa Tanaka2,Yasuhiro Arikawa3,Kazunari Yoshizawa1,2 |
| 16:10-17:40 | 2P132 | Theoretical study on the concentration dependency of materials forming the amyloid fibrils (Graduate School of Science, Nagoya Univ.1,Institute for Molecular Science2,Str. Biol. Res. Cent., Nagoya Univ.3,Cent. for Comp. Sci., Nagoya Univ.4,Info. Tech. Cent., Nagoya Univ.5)*Naohiro Nishikawa1,2,Yoshitake Sakae1,Yuko Okamoto1,3,4,5 |