Saturday, September 19(Starting at 13:20)
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.You can open an abstract (pdf file) by following a link of Presentation Number from this web site.
Venue P
[Gas phase]
| 13:20-14:40 | 4P001 | Discrimination of reaction intermediates in the fluorescence spectrum by IR excitation (Kitasato Univ.)*Ryota Kato,Haruki Ishikawa |
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| 13:20-14:40 | 4P002 | Study on the conformational structure of monomer and solvated cluster of deuterated benzyl methyl ether (Graduate School of Science, Fukuoka Univ.)*Kohei Nishizono,Yuji Yamada,Yoshinori Nibu |
| 13:20-14:40 | 4P003 | Infrared spectroscopic investigations of proton-transfer reaction of ionized diol (Graduate School of Science, Tohoku Univ.)*Hiroyuki Harigaya,Takahiro Kamiyama,Yoshiyuki Matsuda,Asuka Fujii |
| 13:20-14:40 | 4P004 | Infrared spectroscopy of 1-naphthol–piperidine clusters in supersonic jet ―The excited state proton transfer reaction detected by vibrational transitions― (Tokyo Institute of Technology)*Shun Manita,Toshihiko Shimizu,Mitsuhiko Miyazaki,Masaaki Fujii |
| 13:20-14:40 | 4P005 | Infrared spectroscopy of large size acetylene cluster cations (C2H2)n+ (Graduate School of Science, Tohoku Univ.)*Marusu Katada,Takashi Chiba,Asuka Fujii |
| 13:20-14:40 | 4P006 | Millimeter wave spectroscopy of AuOH (Shizuoka University, Faculty of Science)*Tatsuki Takahashi,Emi Okabayashi,Toshiaki Okabayashi |
| 13:20-14:40 | 4P007 | Rotational spectrum of methyl trimethyl acetate (Graduate School of science and Technology, Sophia Univ.)*Yuuki Tajimi,Rie Nomura,Atsushi Ishikawa,Nobuhiko Kuze |
| 13:20-14:40 | 4P008 | Fourier transform microwave spectrum of trans-2-hexenal (Kanagawa Inst. Tech.1,Graduate Univ. for Advanced Studies2)*Ryosuke Yokoyama1,Yoshiyuki Kawashima1,Eizi Hirota2 |
| 13:20-14:40 | 4P009 | Temperature dependence of proton transfer reactions of peptide ions (Graduate School of Nanobioscience, Yokohama City Univ.)*Hiroki Akiyama,Hideo Isono,Taiju Tanimura,Masato Miyazawa,Shinji Nonose |
| 13:20-14:40 | 4P010 | Reaction mechanisms of phosphorus chlorides in the gas phase by matrix-isolation infrared spectroscopy (Graduate School of BASE, Tokyo Univ. A & T)*Rintaro Ichihara,Nobuyuki Akai,Munetaka Nakata |
| 13:20-14:40 | 4P011 | Thermal decomposition pathways of resorcinol analyzed by ab initio calculations and experiments (Interdisciplinary Graduate School of Engineering Sciences, Kyushu University1,Institute for Materials Chemistry and Engineering, Kyushu University2,Research and Education Center of Carbon Resources, Kyushu University3)*Yuki Furutani1,Huamei Yang1,Shinji Kudo2,Jun-ichiro Hayashi2,3,Koyo Norinaga2 |
| 13:20-14:40 | 4P012 | Simulation study on vibrational quantum beat signals modulated by strong laser pulses (Graduate School of Science, Tohoku Univ.1,IMS2,SOKENDAI3,CREST4)*Toru Ajiki1,Yukiyoshi Ohtsuki1,Hirohiko Kono1,Haruka Goto2,Hiroyuki Katsuki2,3,Kenji Ohmori2,3,4 |
| 13:20-14:40 | 4P013 | Femosecond laser ionization mass spectrometry of xylene:Rearrangement dynamics of methyl group in xylene dication (Niigata Univ. Pharmacy & Appl. Life Sciences1,National Chiao Tung Univ.2)Yo Koshigoe1,Miki Shibata1,Tatsuro Shirota1,Masashi Tsuge2,*Kennosuke Hoshina1 |
| 13:20-14:40 | 4P014 | Phosphorescence emission and excited states of 3- and 4-hydoroxybenzaldehyde vapors (Graduate School of Integrated Arts and Sciences, Hiroshima University)*Takao Itoh |
| 13:20-14:40 | 4P015 | Reaction rate constant of MnO radicals and Oxygen, propene in the gas phase (Graduate School of Science, Japan Women's Univ.)*Chiyuki Kabuto,Nami Yamakita,Takashi Imajo |
| 13:20-14:40 | 4P016 | Observation of the predissociation dynamics of methylamine showing the specific final state distribution (Graduate School of Science, Hiroshima Univ.)*Yuuki Onitsuka,Takuma Yanaidani,Katsuyosi Yamasaki,Hiroshi Kohguchi |
| 13:20-14:40 | 4P017 | Kinetics of the reaction of VO radical with O2 (Faculty of Science, Japan Women's Univ.)*Nami Yamakita,Tamaki Matsumoto,Takashi Imajo |
| 13:20-14:40 | 4P018 | Electron-ion coincidence spectroscopy study on the valence ionization of N2 and O2 (IMRAM, Tohoku University)*So Yamada,Noboru Watanabe,Tsukasa Hirayama,Masahiko Takahashi |
| 13:20-14:40 | 4P019 | Doubly excitation in electron-H2O collisions (Tokyo Tech.1,Sophia Univ.2)*Kazufumi Yachi1,Takeshi Odagiri2,Toshinori Tsuchida1,Keisuke Shigemura1,Kouichi Hosaka1,Masashi Kitajima1,Noriyuki Kouchi1 |
[Liquid phase]
| 13:20-14:40 | 4P020 | Rotational diffusion dynamics of coumarin153 in n-alkylammonium nitrate (Tokyo Tech)*Yoshinobu Shimayama,Akio Kawai |
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| 13:20-14:40 | 4P021 | The ordering of ionic liquid (C8 mim)BF4 with change of the thermal history (Graduate School of Science, Fukuoka Univ.)*Takuya Takamatsu,Keisuke Watanabe,Keishi Negita |
| 13:20-14:40 | 4P022 | The combined effect of Hofmeister ions and macromolecular crowding on the phase transition of poly(N-isopropylacrylamide) (Faculty of Science, Kyushu Univ.)*Karin Yoneyama,Kenji Sakota,Hiroshi Sekiya |
| 13:20-14:40 | 4P023 | Raman spectroscopic observation of reaction process between H2SO4 and NaOH induced by droplet collision (Graduate School of Science, Gakushuin Univ.)*Kazuma Anahara,Jun-ya Kohno |
| 13:20-14:40 | 4P024 | Efficient Vibrational Ladder Climbing of Nitrosyl Complex for Laser Induced Chemical Reaction (The Institute of Industrial Science, The University of Tokyo)*Jumpei Tayama,Satoshi Ashihara |
| 13:20-14:40 | 4P025 | Variation of near-infrared spectra of water by hydroxide ion (Faculty of Agriculture, TUAT1,Graduate School of Agriculture, TUAT2,United Gradate School of Agrcultural Science, TUAT3)*Sayaka Katsu1,Naruya Uchida2,Norio Yoshimura3,Masao Takayanagi3 |
| 13:20-14:40 | 4P026 | Relaxation dynamics of S2 state carotenoids observed by femtosecond time-resolved near-infrared spectroscopy (Gakushuin University)*Masato Anan,Tomohisa Takaya,Koichi Iwata |
| 13:20-14:40 | 4P027 | Time resolved optical sampling utilizing ultrafast twin lasers (Facul. of Materials Sci., Kyoto Inst. of Tech.)*Tetsuhiko Nagahara |
| 13:20-14:40 | 4P028 | Time-resolved IR spectroscopy of cyclopentane-1,3-diyl diradicals that have cyano and carbonyl groups (Graduate School of Pure and Applied Sciences,Tsukuba Univ.1,Graduate School of Science,Hiroshima Univ.2)*Shunsuke Kuboki1,Shohe Yoshidomi2,Manabu Abe2,Taka-aki Ishibashi1 |
| 13:20-14:40 | 4P029 | Photoexcited dynamics of phenylpyridine Ir(III) complexes using time-resolved infrared spectroscopy (Tokyo Tech.1,Tokyo Metro. Univ.2,Toyota Central R&D Labs.3,JST-PRESTO4)*Kyohei Tanno1,Shinnosuke Kikuchi2,Seiichi Tanaka1,Akiko Inagaki2,Shunsuke Sato3,Shin-ya Koshihara1,Ken Onda1,4 |
| 13:20-14:40 | 4P030 | Photochromic Behavior of the Reversed Phenoxyl–Imidazolyl Radical Complex (Aoyama Gakuin University1,CREST2)*Shota Toshimitsu1,Katsuya Mutoh1,Yoichi Kobayashi1,Jiro Abe1,2 |
| 13:20-14:40 | 4P031 | Stepwise Two Photon Induced Photochromic Property of the Biphenyl-Bridged Bis(phenoxyl-imidazolyl radical complex) (Aoyama Gakuin University1,CREST2)*Izumi Yonekawa1,Katsuya Mutoh1,Yoichi Kobayashi1,Jiro Abe1,2 |
| 13:20-14:40 | 4P032 | The property of RuIII/ReIV mixed-valence complexes connected by strong H-bonds (TUS)*Ryotaro Yokoi,Yuki Tsuruoka,Hajime Kamebuchi,Makoto Tadokoro |
| 13:20-14:40 | 4P033 | Analyzing a mode-mode coupling between OH-stretching intra-molecular mode and hydrogen bond translational inter-molecular mode for water liquid with 2D vibrational spectroscopy (Graduate School of Science, Kyoto Univ.)*Hironobu Ito,Yoshitaka Tanimura |
[Solid phase]
| 13:20-14:40 | 4P034 | Cation-Anion Dual Sensing by the Lactam-Lactim Tautomerism of Quinoxalinone Derivative (Graduate School of Engineering, Tohoku Univ.1,IMRAM, Tohoku Univ.2,Chitose Institute of Science and Technology3)*Yuta Nakane1,Takashi Takeda1,2,Norihisa Hoshino1,2,Kenichi Sakai3,Tomoyuki Akutagawa1,2 |
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| 13:20-14:40 | 4P035 | Three-Dimensional Single-Molecule Tracking of Guest Fluorescent Molecules in Host Polymer Films (Graduate School of Engineering Science, Osaka Univ.1,Graduate School of Engineering, Toyama Prefectural Univ.2,Graduate School of Engineering, Osaka City Univ.3)*Kengo Hiratsuka1,Yuhei Taga1,Satoshi Takei2,Daichi Kitagawa3,Seiya Kobatake3,Syoji Ito1,Hiroshi Miyasaka1 |
| 13:20-14:40 | 4P036 | Synthesis and structure of [Cu (A)2(py)4] complex axially substituted with methyltrifluoroborate (Graduate School of Science and Engineering Yamaguchi University1,Research Institute for Electronic Science,Hokkaido University2)*Tomoaki Kanetou1,Ryo Tsunashima1,Takayoshi Nakamura2,Shin-ichiro Noro2,Kazuya Kubo2 |
| 13:20-14:40 | 4P037 | Dynamic behavior of molecules and proton conduction in alginic acid-imidazole composite (Graduate School of Natural Science and Technology, Kanazawa Univ.)*Takuma Chikai,Ryutaro Ohashi,Tomonori Ida,Motohiro Mizuno |
| 13:20-14:40 | 4P038 | Infrared spectra of proton bound dimers XHY+ (X, Y = N2, Xe, and Kr) produced in electron bomberded para-H2 matrices (Applied Chemistry, National Chiao Tung Univ.)*Masashi Tsuge,Yuan-pern Lee |
| 13:20-14:40 | 4P039 | Protonic Conductivities and Dimensions of Hydrogen-Bonding Structures in (Halo-anilinium)(H2PO4) Salts (Graduate School of Engineering, Tohoku Univ.1,Multidisciplinary Research for Advanced Materials, Tohoku Univ.2)*Yuya Yoshii1,Takashi Takeda1,2,Norihisa Hoshino1,2,Tomoyuki Akutagawa1,2 |
| 13:20-14:40 | 4P040 | Pressure Effect on Proton Conductivity of Coordination Polymers (Graduate School of Science, Kyoto Univ.1,JST-CREST2)*Yuta Asakawa1,Mitsuhiko Maesato1,Hisashi Okawa1,Hiroshi Kitagawa1,2 |
| 13:20-14:40 | 4P041 | Proton conductive behavior in single crystals of imidazole and dicarboxylic acid-based organic salts (The Institute for Solid State Physics, The University of Tokyo)*Yoshiya Sunairi,Junya Yoshida,Akira Ueda,Hatsumi Mori |
| 13:20-14:40 | 4P042 | Design of organic ionic crystals for ferroelectrics (Graduate School of Chemical Sciences and Engineering, Hokkaido University1,Faculty of Science, Hokkaido University2)*Hideaki Oyamaguchi1,Takafumi Shimojo1,Jun Harada1,2,Hiroyuki Hasegawa2,Yukihiro Takahashi1,2,Tamotsu Inabe1,2 |
| 13:20-14:40 | 4P043 | Influence of alkyl chain on ferroelectric alkylamide-substituted pyrene derivative (Graduate School of Engineering, Tohoku Univ.1,IMRAM, Tohoku Univ.2)*Hayato Anetai1,Takashi Takeda1,2,Norihisa Hoshino1,2,Tomoyuki Akutagawa1,2 |
| 13:20-14:40 | 4P044 | Introduction of ion channel into ferroelectric discotic hexagonal columnar phase (Graduate School of Engineering, Tohoku Univ.1,IMRAM, Tohoku Univ.2)*Yuko Kimura1,Takayuki Kobayashi1,Takashi Takeda1,2,Norihisa Hoshino1,2,Tomoyuki Akutagawa1,2 |
| 13:20-14:40 | 4P045 | Crystal structures and movement of ionic species in chiral ionic crystals (Graduate School of Engineering, Kyushu Univ.1,the Center for Molecular Systems, Kyushu University2,PREST, JST3,Graduate School of Science, Kyoto University4,Japan Synchrotron Radiation Research Institute5)*Masaya Matsuki1,Teppei Yamada1,2,3,Shun Dekura4,Hiroshi Kitagawa4,Nobuhiro Yasuda5,Nobuo Kimizuka1,2 |
| 13:20-14:40 | 4P046 | Ultrafast dynamics in organic ferroelectric [H-dppz][Hca] (Tokyo Tech1,JST-PRESTO2,JST-CREST3,AIST4)*Tsugumi Umanodan1,Yoichi Okimoto1,Suguru Naruse1,Sei'ichi Tanaka1,Ken Onda1,2,Tadahiko Ishikawa1,Shin-ya Koshihara1,3,Sachio Horiuchi3,4 |
| 13:20-14:40 | 4P047 | Development of the ultra high-resolution Raman transition measurement technique applying Ramsey Fringe spectroscopy (Nara Institute of Science and Technology)*Yudai Kumamoto,Hiroyuki Katsuki,Hisao Yanagi |
| 13:20-14:40 | 4P048 | Computational analysis of anisotropic behavior of methyl methacrylate in porous coordination polymers (Graduate School of Information Science, Nagoya Univ.1,CREST-JST2)*Masayoshi Takayanagi1,2,Masataka Nagaoka1,2 |
| 13:20-14:40 | 4P049 | The change of electronic state by hydrogen bonding in poly ehylene glycol, using attenuated total reflectant spectrosopy in far ultra violet (Graduate School of Science and Engineering Research, Kinki Univ)*Nami Ueno,Yusuke Morisawa |
| 13:20-14:40 | 4P050 | Humidity-dependence of luminescent phases of a charge-transfer salt composed of tetracyanidoplatinate(II) and diethylviologen (Dept. Chemistry, Rikkyo Univ.1,Research Center for Smart Molecules, Rikkyo Univ.2)*Akane Kato1,Nobuyuki Matsushita1,2 |
| 13:20-14:40 | 4P051 | Investigation of electric states of carbon materials/polymer nanocomposites by attenuated total reflectance–ultraviolet spectroscopy (Graduate School of Science and Technology, Kwansei Gakuin Univ1,Graduate School of Science and Technology, Kinki Univ,2,Graduate School of Human Development , Kobe Univ3)*Kenta Kobashi1,Ichiro Tanabe1,Yusuke Morisawa2,Harumi Sato3,Takeyoshi Goto1,Yukihiro Ozaki1 |
| 13:20-14:40 | 4P052 | Development of fluorescence-detected two-dimensional electronic spectroscopy system for organic solids (Graduate School of Science, Kyoto Univ.1,Graduate School of Frontier Sciences, The Univ. of Tokyo2)*Shota Takahashi1,Shunsuke Tanaka1,Kazuya Watanabe1,Toshiki Sugimoto1,Takafumi Uemura2,Junichi Takeya2,Yoshiyasu Matsumoto1 |
| 13:20-14:40 | 4P053 | Construction of supramolecular structures by σ-hole on sulfur and its influence on the physical properties of the metalladithiolene system (Grad. Sch. Sci., The Univ. of Tokyo)*Chie Ohde,Tetsuro Kusamoto,Hiroshi Nishihara |
| 13:20-14:40 | 4P054 | A variety of the physical properties in k—(ET)2Cu[N(CN)2]I (Graduate School of Science and Engineering, Ehime Univ.)*Yusuke Nakamura,Takashi Yamamoto,Toshio Naito,Kensuke Konishi |
| 13:20-14:40 | 4P055 | Struture and solid state properties of charge transfer salts using lignin biomass with pyrone rings-(I) (Grad. Sch. Sci. and Engin., Hosei Univ.1,Research Center for Micro-Nano Technology, Hosei Univ.2,Forestry and Forest Products Research Institute3)*Yoshiaki Kuwana1,Rie Takahasi1,Kaino Hiruko1,Gene Gagabe2,Eiichi Inami2,Yuichiro Otsuka3,Masaya Nakamura3,Hironori Ogata1,2 |
| 13:20-14:40 | 4P056 | Synthesis and properties of lignin biomass molecules with pyrone derivatives (Grad. Sch. Sci. and Engin., Hosei Univ.1,Research Center for Micro-Nano Technology, Hosei Univ.2,Forestry and Forest Products Research Institute3)*Kaino Hiruko1,Rie Takahashi1,Yoshiaki Kuwana1,Kazumi Inoue1,Eiichi Inami2,Yuichiro Otsuka3,Masaya Nakamura3,Hironori Ogata1,2 |
| 13:20-14:40 | 4P057 | Structure and solid state properties of charge transfer salts using lignin biomass with pyrone rings-(II) (Grad. Sch. Sci. and Engin., Hosei Univ.1,Research Center for Micro-Nano Technology, Hosei Univ.2,Forestry and Forest Products Research Institute3)*Rie Takahashi1,Yoshiaki Kuwana1,Kaino Hiruko1,Gene Gagabe2,Eichi Inami2,Yuichiro Otsuka3,Masaya Nakamura3,Hironori Ogata1,2 |
[Clusters/particles/nanostructures]
| 13:20-14:40 | 4P058 | Theoretical investigation on isomerization of allyl alcohols over Au clusters (Graduate School of Science, Osaka Univ.1,ESICB, Kyoto Univ.2)*Kohei Tada1,Hiroaki Koga2,Kohei Sakata1,Atsushi Oguni1,Yudai Kondo1,Toru Saito1,Takashi Kawakami1,Shusuke Yamanaka1,Mitsutaka Okumura1,2 |
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[Biomolecules]
| 13:20-14:40 | 4P059 | Analysis for vibronic structures in absorption and fluorescence spectra of firefly oxyluciferin in aqueous solutions (ISSP, Univ. Tokyo1,Graduate School of Information Science, Nagoya Univ.2,RIKEN3)*Miyabi Hiyama1,Yoshifumi Noguchi1,Hidefumi Akiyama1,Kenta Yamada2,3,Nobuaki Koga2 |
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| 13:20-14:40 | 4P060 | Acquisition of pro-oxidant activity in wild-type SOD1 by the destabilization of the molecular structure (Graduate School of Pharmaceutical Sciences, Tohoku Univ.)*Asahi Takahashi,Nobuhiro Fujimaki,Takashi Miura,Takakazu Nakabayashi |
| 13:20-14:40 | 4P061 | The attempt to control the ability of cell agglutination by the NO photodissociation in the carbohydrate-binding protein (Graduate School of Pharmaceutical Sciences, Tohoku Univ.)*Ippei Satoh,Hirotsugu Hiramatsu,Takakazu Nakabayashi |
| 13:20-14:40 | 4P062 | Analysis of dihedral angle of a residue in helical peptides using the two-residue 13C,18O isotope labeling (Grad. Sch. Pharm. Sci., Tohoku Univ.)*Hirotsugu Hiramatsu,Hitomi Okabe,Takakazu Nakabayashi |
| 13:20-14:40 | 4P063 | Effect of cholesterol on energy transfer inside DPPC lipid bilayers observed with picosecond time-resolved Raman spectroscopy (Gakushuin University)*Sho Kitamura,Tomohisa Takaya,Koichi Iwata |
| 13:20-14:40 | 4P064 | Anion binding of monkey green sensitive visual pigments studied by ATR-FTIR spectroscopy (Grad. Sch. Eng., Nagoya Inst. Tech.1,Dept. Pharm., CWRU, USA,2,Primate Res. Inst., Kyoto Univ.3)*Shunta Nakamura1,Kota Katayama1,2,Masayo Iwaki1,Hiro Imai3,Hideki Kandori1 |
| 13:20-14:40 | 4P065 | Low-temperature FTIR study of the intermediates in (6-4) photolyase repair process by isotope labelling. (Nagoya Inst. Tech.1,Grad. Sch. Eng. Sci., Osaka Univ.2,The Scripps Res. Inst. USA3)*Daichi Yamada1,Junpei Yamamoto2,Yu Zhang1,Tatsuya Iwata1,Kenichi Hitomi3,Elizabeth d. Getzoff3,Shigenori Iwai2,Hideki Kandori1 |
| 13:20-14:40 | 4P066 | Time-resolved infrared study on the photoreaction of the thermophilic rhodopsin (TR) (Institute for Molecular Science1,Graduate School of Medicine, Dentistry and Pharmaceutical Sciences, Okayama Univ.2)*Kunisato Kuroi1,Takashi Tsukamoto2,Naoya Honda2,Yuki Sudo2,Yuji Furutani1 |
| 13:20-14:40 | 4P067 | Orientation-sensitive imaging of feather β-keratins by VSFG-detected IR super-resolution microscopy (Chem. Res. Lab., Tokyo. Tech)*Yukihisa Watase,Kohei Ushio,Masaaki Fujii,Makoto Sakai |
| 13:20-14:40 | 4P068 | A sub-micron step closer to spatially resolving the magnetosensitivity of photochemically induced electron transfer reactions of flavins (Graduate School of Arts and Sciences, The University of Tokyo)*Lewis Antill,Joshua Beardmore,Jonathan Woodward |
| 13:20-14:40 | 4P069 | Excited state of thioguanosine and dithioguanosine (Science, Aoyama Gakuin Univ.)*Shoma Miyata,Tasuku Isozaki,Tadashi Suzuki |
| 13:20-14:40 | 4P070 | A single microdroplet levitation apparatus combined with microscope for ultimate biosensing (Kyushu Univ.)*Kenji Sakota,Hiroshi Sekiya |
| 13:20-14:40 | 4P071 | The effect of molecular-weight dependent adsorption of polyethylene glycol on two-state transition of myoglobin (Kyushu Univ.)*Shota Yasutomi,Kenji Sakota,Sekiya Hiroshi |
| 13:20-14:40 | 4P072 | Psuedopolymorphism of 1- and 3- methylhistidine hydrate crystals (Kitasato University)*Yasutoshi Kasahara,Hikaru Endo,Shigefumi Yamamura,Yoko Sugawara,Haruki Ishikawa |
| 13:20-14:40 | 4P073 | A theoretical study of peroxo state of particulate methane monooxygenase (pMMO) (IMCE, Kyushu Univ.)*Shuhei Itoyama,Kazuki Doitomi,Yoshihito Shiota,Kazunari Yoshizawa |
| 13:20-14:40 | 4P074 | Roles of sodium ion distribution in thrombin-substrate association reaction (Graduate School of Information Science, Nagoya Univ.1,CREST-JST2)*Ikuo Kurisaki1,2,Masayoshi Takayanagi1,2,Chantal Barberot1,2,Masataka Nagaoka1,2 |
| 13:20-14:40 | 4P075 | Slow dynamics of backbone dihedral angles in histone tails revealed by time-structure based independent component analysis (Yokohama City Univ.)*Sotaro Fuchigami |
| 13:20-14:40 | 4P076 | A theoretical study of the antibody-antigen interaction with multiple binding sites (College of Liberal Arts and Sciences, Kitasato Univ.)*Ueno-noto Kaori |
| 13:20-14:40 | 4P077 | Molecular simulation study on conformation changes depending on pH of influenza virus hemagglutinin (Center for Informational Biology, Ochanomizu Univ.1,Research Center for Zoonosis Control, Hokkaido Univ.2)*Nobuaki Miura1,Manabu Igarashi2 |
| 13:20-14:40 | 4P078 | Theoretical study on reaction mechanism of Mn–O formation at the transition from S2 to S3 states by OEC (Graduate School of Science, Hokkaido Univ.1,Graduate School of Engineering, Mie Univ.2)Tomoya Ichino1,Masaki Mitani2,*Yasunori Yoshioka2 |
| 13:20-14:40 | 4P079 | Theoretical study of protein-protein interactions in plastocyanin - cytochrome f using Go model (Graduate School of Natural Science and Technology, Kanazawa Univ.)*Satoshi Nakagawa,Syogo Kinoshita,Takahiro Matsui,Kazutomo Kawaguchi,Hiroaki Saito,Hidemi Nagao |
| 13:20-14:40 | 4P080 | Theoretical study on the free energy landscape in the association-dissociation process of plastocyanin and cytochrome f (Graduate School of Natural Science and technology, Kanazawa Univ.)*Takahiro Matsui,Satoshi Nakagawa,Kazutomo Kawaguchi,Hiroaki Saito,Hidemi Nagao |
| 13:20-14:40 | 4P081 | Theoretical study on the formation of micelles with coarse grained model (Graduate School of Natural Science & Technology,Kanazawa Univ.)*Shogo Kinosita,Satoshi Nakagawa,Kazutomo Kawaguchi,Hiroaki Saito,Hidemi Nagao |
| 13:20-14:40 | 4P082 | Changes in physical property of DMPC bilayers by addition of non-ionic surfactant C12Em (Department of Applied Chemistry, Nagoya University1,Center for Computational Science, Nagoya University2)Syafawani Mohamed1,*Yoshimichi Andoh2,Susumu Okazaki1 |
| 13:20-14:40 | 4P083 | Structural origin of carbohydrate recognition mechanism in norovirus capsid protein (Nanomaterials RI, AIST1,Biomedical RI, AIST2,Department of Virology II, NIID3)*Toyokazu Ishida1,Tomomi Kubota2,Haruko Shirato3 |
| 13:20-14:40 | 4P084 | A theoretical research on hydroxylate reaction mechanism of reconstituted Myoglobin (Graduate School of Science, Kyoto Univ.)*Yoshihiro Uchida,Shigehiko Hayashi |
[Theory/calculation]
| 13:20-14:40 | 4P085 | Development of algorithm for accelerating long-range corrected density functional theory (RIKEN AICS)*Yukio Kawashima,Kimihiko Hirao |
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| 13:20-14:40 | 4P086 | Theoretical study triple proton transfer reaction in azaindole - 2 hydrates (Graduate School of Engineering, Nagoya Institute of Technology)*Norihiro Shida,Yuuki Fujisawa |
| 13:20-14:40 | 4P087 | RHF calculation based on primitive basis for SIMD operation (ISEE, Kyushu Univ.1,Research Institute for Information Technology, Kyushu Univ.2,CREST-JST3)*Noriaki Imamura1,Hiroaki Honda2,3,Yuichi Inadomi1,3,Takeshi Nanri2,3 |
| 13:20-14:40 | 4P088 | Numerical integration of the retarded potential term in time evolution simulation based on QED (Graduate School of Engineering, Kyoto Univ.)*Ken Inada,Masahiro Fukuda,Kento Naito,Kazuhide Ichikawa,Akitomo Tachibana |
| 13:20-14:40 | 4P089 | Theoretical design of photoelectric conversion molecular wires (Kyushu Univ.1,JST-CREST2)*Kohei Kato1,Yuuichi Orimoto1,Yuriko Aoki1,2 |
| 13:20-14:40 | 4P090 | Theoretical analysis of phase transition mechanism by H/D isotope effect in hydrogen-bonded molecular conductor H3(Cat-EDT-TTF)2 (Graduate School of Nanobioscience, Yokohama City Univ.1,Faculty of Information Sciences, Hiroshima City Univ.2)*Kaichi Yamamoto1,Yusuke Kanamatsu2,Masanori Tachikawa1 |
| 13:20-14:40 | 4P091 | Theoretical analysis of H/D isotope effect on positron affinity of hydrogen cyanide molecule with quantum Monte Carlo method (Graduate School of Nanobioscience)*Umihiro Urakawa,Yukiumi Kita,Masanori Tachikawa |
| 13:20-14:40 | 4P092 | Potential of mean force between two likely charged particles in electrolyte solution (Undergraduate School of Engineering,Nagoya Univ1,Graduate School of Engineering,Nagoya Univ2)*Najwa Nurul1,Yuuta Endo2,Hidekazu Kojima2,Susumu Okazaki2 |
| 13:20-14:40 | 4P093 | Quantum dynamics of proton in diabatic system (Graduate School of Natural Science and Technology, Kanazawa Univ.)*Yuta Hori,Tomonori Ida,Motohiro Mizuno |
| 13:20-14:40 | 4P094 | Theoretical study of dissociation pathways for dichloroethylene cation isomers by the Global Reaction Route Mapping method (Department of Chemistry, Graduate School of Science, Tohoku University1,Department of Chemistry, Faculty of Science, Tohoku University2,Institute for Quantum Chemical Exploration3)*Takaki Tokiwa1,Yuito Nishi2,Naoki Kishimoto1,Koichi Ohno1,3 |
| 13:20-14:40 | 4P095 | Addition of dinuclear ruthenium complex to fullerene: theoretical study of reaction mechanism and prediction (京都大学福井謙一記念研究センター)*Hong Zheng,Shigeyoshi Sakaki |
| 13:20-14:40 | 4P096 | Theoritical study of decomposition reaction of β-lactam ring catalyzed by hydrolase using free energy analysis approach (Graduate School of Science, Osaka Pref. Univ.1,RIMED2)*Kanta Ando1,Toshio Asada1,2,Shiro Koseki1,2 |
| 13:20-14:40 | 4P097 | Theoretical study on the nonadiabatic transition between dynamical states of ICN (Graduate School of Fundamental Science and Technology, Keio University)*Tatsuhiko Kashimura,Tomoya Ikezaki,Yusuke Ota,Satoshi Yabushita |
| 13:20-14:40 | 4P098 | The natural orbital-based Pederson-Khanna (NOB-PK) calculations of the zero-field splitting tensors for transition metal complexes (Graduate School of Science, Osaka City University)*Kenji Sugisaki,Rie Hisamoto,Kazuo Toyota,Kazunobu Sato,Daisuke Shiomi,Takeji Takui |
| 13:20-14:40 | 4P099 | Analytical energy gradients in two-component relativistic time-dependent density functional theory (Gifu Uinv.1,RIKEN AICS2)*Muneaki Kamiya1,2,Takahito Nakajima2 |
| 13:20-14:40 | 4P100 | Wave packet dynamics and Nambu mechanics (Department of Natural Sciences, Tokyo City University)*Atsushi Horikoshi |
| 13:20-14:40 | 4P101 | Excited state calculations including solvent effect for TADF molecular systems (Grad. Sch. Pure. Appl. Sci., Univ. of Tsukuba)*Toya Iwasaki,Kenji Morihashi |
| 13:20-14:40 | 4P102 | Application of the Gaussian wavepacket expansion in the phase space representation to tunneling dynamics (Graduate School of Science, Tohoku Univ.)*Yuta Arai,Manabu Kanno,Hirohiko Kono |
| 13:20-14:40 | 4P103 | Theoretical study of ammonia borane dehydrogenation catalyzed by iron pincer complexes (School of Engineering, UTokyo)*Ayaka Kuroki,Hiroshi Ushiyama,Koichi Yamashita |
| 13:20-14:40 | 4P104 | Effect of Sr vacancies on the bandstructure of SrNbO3: A DFT analysis (Graduate School of Engineering, The Univ. of Tokyo1,CREST-JST2)*Masanori Kaneko1,2,Giacomo Giorgi1,2,Koichi Yamashita1,2 |
| 13:20-14:40 | 4P105 | Control of contributions of multiple molecular orbitals on high harmonic generation by changing the carrier envelop phase of an incident near-infrared pulse (Graduate School of Science, Tohoku Univ.1,Graduate School of Nanobioscience, Yokohama City Univ.2,School of Science, The Univ. of Tokyo3,Graduate School of Science, Osaka Prefect. Univ.4)*Shu Ohmura1,Hirohiko Kono1,Takayuki Oyamada2,Tsuyoshi Kato3,Katsunori Nakai3,Shiro Koseki4 |
| 13:20-14:40 | 4P106 | Free energy profile of water permeation in biological membrane (Nagoya Univ)*Shunya Yamazaki,Taichi Ito,Yoshimichi Andoh,Wataru Shinoda,Susumu Okazaki |
| 13:20-14:40 | 4P107 | Evaluation of spectroscopic constants of lanthanide compounds: assessment of all-electron basis sets by relativistic quantum chemical calculation (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2)*Yusuke Kondo1,Masato Kobayashi2,Takeshi Noro2,Tetsuya Taketsugu2 |
| 13:20-14:40 | 4P108 | The theoretical studies on the intercalation mechanism of Li/Na ions in Ti2C; anode material for Li/Na ion battery (Graduate School of Enginnering, The Univ. of Tokyo1,ESICB, Kyoto Univ.2)*Shunsuke Kurahashi1,Hiroshi Ushiyama1,2,Koichi Yamashita1,2 |
| 13:20-14:40 | 4P109 | Quantum control of isotope-selective rovibrational excitation (Japan Atomic Energy Agency)*Yuzuru Kurosaki,Akira Ichihara,Keiichi Yokoyama |
| 13:20-14:40 | 4P110 | Density matrix renormalization group in MOLCAS package and its applications (CRC, Hokkaido Univ.)*Naoki Nakatani,Jun-ya Hasegawa |
| 13:20-14:40 | 4P111 | Studies of atomic charges for proteins using the linear regression method (School of Engineering, The University of Tokyo1,Institute of Industrial Science, The University of Tokyo2)*Taehwan Kim1,Toshiyuki Hirano2,Fumitoshi Sato2 |
| 13:20-14:40 | 4P112 | Radical generation mechanism in Et3B/O2 system : Systematic reaction path search and kinetic analysis of active species (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Fukui Institute for Fundamental Chemistry, Kyoto Univ.2,Faculty of Science, Hokkaido Univ.3,JST-CREST4)*Chihiro Saka1,Ryohei Uematsu2,Yosuke Sumiya1,Satoshi Maeda3,4,Tetsuya Taketsugu3,4 |
| 13:20-14:40 | 4P113 | Theoretical study of the photoluminescence quantum yield of lanthanide complexes (Faculty of Science and Engineering, Kinki Univ.)*Miho Hatanaka |
| 13:20-14:40 | 4P114 | Theoretical study on hydration structures of divalent metal halide (Graduate School of Science, Hiroshima Univ.1,QuLiS2)*Takahiro Sugahara1,2,Misako Aida1,2 |
| 13:20-14:40 | 4P115 | Theoretical study on substituent effect for racemization of diaza[7]helicenes (Department of Chemistry, Faculty of Science, Kumamoto University1,Graduate School of Science and Engineering, Yamaguchi University2)*Nobutsugu Hamamoto1,Yusuke Shigeta1,Daiki Ueda1,Sachie Arae1,Michinori Sumimoto2,Kenji Hori2,Ryo Irie1,Hitoshi Fujimoto1 |
| 13:20-14:40 | 4P116 | Theoretical study on mechanism of the photochemical ligand substitution reactions of fac-[Re(bpy)(CO)3(PR3)]+ complex (Graduate School of Science, Hokkaido University1,JST-CREST2)*Kenichiro Saita1,2,Yu Harabuchi1,2,Satoshi Maeda1,2,Tetsuya Taketsugu1,2 |
| 13:20-14:40 | 4P117 | Theoretical study on fluorescence and phosphorescence quantum yields: Application to polycyclic aromatic hydrocarbons (Hokkaido Univ.1,JST CREST2)*Yu Harabuchi1,2,Kenichiro Saita1,2,Satoshi Maeda1,2,Tetsuya Taketsugu1,2 |
| 13:20-14:40 | 4P118 | A theoretical study of structures and hydration of tetrodotoxin in aqueous solution (Graduate School of Science, Hiroshima University1,Center for Quantum Life Sciences, Hiroshima University2)*Yudai Watanabe1,2,Misako Aida1,2 |
| 13:20-14:40 | 4P119 | Quantum chemical calculation of zero-field splitting tensor in excited triplet states of organic molecules: An application of the SAC-CI method (Graduate School of Science, Osaka City Univ.)*Kazuo Toyota,Kenji Sugisaki,Kazunobu Sato,Daisuke Shiomi,Takeji Takui |
| 13:20-14:40 | 4P120 | A molecular dynamics study of interaction between poliovirus and poliovirus receptor cd155 (Department of Applied Chemistry, Nagoya University1,Center for Computational Science, Nagoya University2,Institute for Protein Research, Osaka University3,Institute of Microbial Chemistry, Tokyo4)*Yuta Endo1,Keisuke Mizutani1,Hidekazu Kojima1,Kazushi Fujimoto1,Atsushi Yamada1,Yoshimichi Andoh1,Yoshii Noriyuki2,Wataru Shinoda1,Atsushi Nakagawa3,Akio Nomoto4,Susumu Okazaki1 |