Wednesday, September 12 (15:40 - 17:20)
The number before P in the Presentation Number indicates whether the poster presentation is given on the 1st, 2nd, 3rd, or 4th day of the meeting.
Venue P
| 15:40-17:20 | 3P001 | Ionization induced water migration in the 4-methylformanilide-water 1:1 cluster probed by IR dip spectroscopy (Laboratory for Chemistry and Life Science, Tokyo Institute of Technology) *Tairiku Kamiya, Yuki Konno, Remina Otsuka, Mitsuhiko Miyazaki, Masaaki Fujii |
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| 15:40-17:20 | 3P002 | Laser spectroscopic investigation of Benzene-(H2S)n clusters (Graduate School of Science, Tohoku University) *Dandan Wang, Asuka Fujii |
| 15:40-17:20 | 3P003 | Study on cooperative effect of dihydrogen bonded clusters with silane compounds (Graduate school of integrated science and technology, Shizuoka Univ.1,Faculty of Science, Shizuoka Univ.2,Faculty of Science, Kitasato Univ.3) *Ryo Ogawa1, Yoshiteru Matsumoto2, Haruki Ishikawa3 |
| 15:40-17:20 | 3P004 | Development of IR-IR ion dip spectroscopy for ultra-cold ions trapped in a cryogenic ion trap (Laboratory for Chemistry and Life Science, Tokyo Institute of Technology1,Tokyo University of Science2) *Ken-ichi Kasai1, Shun-ichi Ishiuchi1, Koichi Tsukiyama2, Masaaki Fujii1 |
| 15:40-17:20 | 3P005 | Elucidation of multiple sulfur-isotope effects on photodissociation dynamics of sulfuric acid after excitation to the third excited state(S3) (Sophia Univ.) *Yuya Saga, Sebastian Danielache, Shinkoh Nanbu |
| 15:40-17:20 | 3P006 | Study on trans → cis photoisomerization of para-, meta-, ortho-methoxy ethylcinnamate (Graduate School of Science, Hiroshima Univ.) *Shingo Nakayama, Yoshiya Inokuchi, Shin-nosuke Kinoshita, Hiroshi Kohguchi, Yuuki Onitsuka, Takeharu Haino, Daisuke Shimoyama, Manabu Abe, Norito Kadowaki, Takayuki Ebata |
| 15:40-17:20 | 3P007 | chirped FT mm-wave spectroscopy of C6H5I (Tokyo Institute of Technology1,Sophia University2) *Naoko Hara1, Hideto Kanamori1, Nobuhiko Kuze2 |
| 15:40-17:20 | 3P008 | Observation of shapes of vibrational wave functions of diatomic molecules by using atomic momentum spectroscopy (IMRAM,Tohoku Univ.) *Yuichi Tachibana, Masakazu Yamazaki, Masahiko Takahashi |
| 15:40-17:20 | 3P009 | Electron momentum spectroscopy of formamide: effects of large-amplitude vibrations on molecular orbital patterns and an attempt to high-temperature experiments (IMRAM, Tohoku Univ.) *Kimihiro Sato, Noboru Watanabe, Masahiko Takahashi |
| 15:40-17:20 | 3P010 | Structure analysis of C5H7+ from cyclohexene precursor using ion mobility/TOF mass spectrometer (Osaka Pref. Univ.) *Kenichi Iwamoto, Toshiki Nakanishi |
| 15:40-17:20 | 3P011 | Microwave spectroscopy of oxazole (Department of Physics, University of Toyama) *Kaori Kobayashi, Natsumi Aoki, Shota Uno, Shozo Tsunekawa |
| 15:40-17:20 | 3P012 | LIF/DF measurements of ions under isolated gas-phase condition: Possibility for observation of biomolecules (Graduate School of Material Science, University of Hyogo) *Kenji Honma |
| 15:40-17:20 | 3P013 | The molecular structure of electronically-excited flexible 1,2,4,5-tetrafluorobenzene (Graduate School of Engineering, Nihon Univ.1,College of Engineering, Nihon Univ.2) *Osamu Yamamoto1, Katsuhiko Okuyama2 |
| 15:40-17:20 | 3P014 | OH-radical formation from the reactions of methyl amines with ozone (NIES) *Takashi Imamura, Kei Sato, Ayako Furuhama |
| 15:40-17:20 | 3P015 | Optimal 3D alignment control of sulfur dioxide and simulation of the diffraction patterns by an ultrashort electron pulse (Graduate School of Science, Tohoku Univ) *Masataka Yoshida, Yukiyoshi Ohtsuki, Hirohiko Kono |
| 15:40-17:20 | 3P016 | Intensity distribution of methyl-group internal-rotation transition in the two-photon excitation spectrum (Graduate School of College of Engineering, Nihon Univ.1,College of Engineering, Nihon Univ2) *Takenori Noda1, Katsuhiko Okuyama2 |
| 15:40-17:20 | 3P017 | Vibrational spectra of the CF3SO3H—N2 complex in low-temperature matrices (Faculty of Science and Engineering, Iwate Univ.) *Eiichi Suzuki, Yuta Toiguchi, Hitoshi Yashiro |
| 15:40-17:20 | 3P018 | The molecular structure of electronically excited tolane (Graduate School of College of Engineering, Nihon Univ.1,College of Engineering, Nihon Univ.2) *Naoki Kubozono1, Katsuhiko Okuyama2 |
| 15:40-17:20 | 3P019 | Excited state proton transfer in supercritical alcohol assessed by diffusional model analysis (Department of Applied Chemistry, Graduate School of Science and Enginneering, Doshisha Univ.1,Department of Molecular Chemistry and Biochemistry, Faculty of Science and Engineering, Doshisha Univ.2) *Kaori Fujii1, Megumi Aramaki2, Yoshifumi Kimura1,2 |
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| 15:40-17:20 | 3P020 | Absorption state of CO2 molecules in imidazolium-based ionic liquids, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and 1-butyl-3- methylimidazolium bis(trifluoromethylsulfonyl)imide (Graduate School of Science, Chiba University.1,Department of Natural and Environmental Sciences, Teikyo University of Science.2) *Sakitada Suzuki1, Hideyuki Nakayama2, Keiko Nishikawa1, Takeshi Morita1 |
| 15:40-17:20 | 3P021 | Photochemical reaction and solvent effect of boronic acid derivatives having naphthalene skeleton (Gratuate School of Science and Technology, Sophia Univ.) *Ryo Haneda, Kazuma Sugiyama, Mayuko Fujisawa, Hideyuki Kunigita, Kazuhiro Ema, Takeshi Hashimoto, Takashi Hayashita, Shinkoh Nanbu |
| 15:40-17:20 | 3P022 | Development of stable picosecond time-resolved Raman spectrometer and attempt for high sensitivity detection of transient species (Faculty of Science, Gakushuin University) *Tsukasa Tokita, Tomohisa Takaya, Koichi Iwata |
| 15:40-17:20 | 3P023 | Ultraviolet photoelectron spectroscopic studies on Madelung energy of ionic liquids (Department of Materials Science and Engineering, Tokyo Tech.1,Faculty of Science and Technology, Tokyo Univ. of Sci.2) *Shiori Nomoto1, Suho Ryo1, Takashi Iwahashi1, Kaname Kanai2, Yukio Ouchi1 |
| 15:40-17:20 | 3P024 | Absorption intensity of the first overtone of OH streting vibration of Methyl p-hydroxybenzoate in chlorinated organic solvents (NIT, Kumamoto College,) *Iori Sakata, Junya Matsuda, Yoshisuke Futami |
| 15:40-17:20 | 3P025 | Contribution of phosphate anion alternative to enhance/decline solubility of acidic drug (Fac., Pharm. Sci., Tokyo Univ. Sci.) *Hitoshi Chatani, Yohsuke Shimada, Yuta Otsuka, Satoru Goto |
| 15:40-17:20 | 3P026 | Study on collision dynamics at the gas-liquid interface by using an ionic liquid beam (Graduate School of Science、Osaka University1,Graduate School of Enginering、Osaka University2) *Hiroshi Ohoyama1, Takahiro Teramoto2 |
| 15:40-17:20 | 3P027 | Changes in spectrum properties of aromatic calboxylic acids on the interaction with metal ions (Graduate School of Science, Kyushu Univ.) *Masaya Kawamura, Hitoshi Ouchi, Ohashi Kazuhiko |
| 15:40-17:20 | 3P028 | Faraday effect of magnetic ionic liquids containing lanthanoid elements (Muroran Tech.) *Nobuya Uchida, Toshifumi Iimori |
| 15:40-17:20 | 3P029 | Solvent dependence of photoluminescence of F4TCNQ in solution (Muroran Tech.) *Yuto Torii, Hideyuki Nakano, Toshifumi Iimori |
| 15:40-17:20 | 3P030 | Structural and magnetic study of two- dimensional Hofmann-like coordination polymer with ligand re-composing. (ACT1,Toho univ2) *Ayaka Haigo1, Takeshi Kawasaki2, Toshiaki Saito2, Daisuke Akahoshi2, Takafumi Kitazawa2, Takashi Kosone1 |
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| 15:40-17:20 | 3P031 | Designing two and three dimensional crystal structure by Hofmann-like motif (ACT1,Toho univ2) *Shogo Okuda1, Takeshi Kawasaki2, Toshiaki Saito2, Daisuke Akahoshi2, Takafumi Kitazawa2, Takashi Kosone1 |
| 15:40-17:20 | 3P032 | Fabrication and dielectric property of a x-form lithium tetrabenzoporphyrin crystal (Kumamoto Univ.1,Kumamoto Univ.2) *Yusuke Miyakubo1, Miki Nishi1, Masaki Matsuda2 |
| 15:40-17:20 | 3P033 | Electrical properties of x-lithium phthalocyanine with guest species (Kumamoto Univ.1,Kumamoto Univ.2) *Tomoya Uchida1, Kosuke Mine1, Miki Nishi1, Masaki Matsuda2 |
| 15:40-17:20 | 3P034 | Structures and properties of α-(BETS)2(HOC2H4SO3) (Graduate School of Science, Osaka Univ.) Yuta Koyama, *Hiroki Akutsu, Yasuhiro Nakazawa |
| 15:40-17:20 | 3P035 | Magnetic properties of cis- and trans-doubly N-confused dioxohexaphyrin bis-copper complexes (Grad. Sch. of Sci. and Tech., Niigata Univ.1,CCRF, Niigata Univ.2,ADRES, Ehime Univ.3,Grad. Sch. of En., Kyushu Univ.4,Grad. Sch. of Eng., Kyushu Univ.5) *Kyosuke Saito1, Ko Furukawa2, Shigeki Mori3, Keito Shimomura4, Yuma Nakamura4, Masatoshi Ishida5, Hiroyuki Furuta5 |
| 15:40-17:20 | 3P036 | Electronic states of radical salts of (S,S)- and (±)-DM-MeDH-TTP (Graduate School of Science and Engineering, Ibaraki Univ.1,Graduate School of Pure and Applied Sciences, University of Tsukuba2) *Sho Miyamoto1, Aoba Kanesaka1, Takuya Shiga2, Hiroki Oshio2, Hiroyuki Nishikawa1 |
| 15:40-17:20 | 3P037 | Development of new multi-functional materials using TTF derivatives substituted with nitrogen-containing heterocycles (Graduate School of Science, Osaka Prefecture Univ.) *Minayo Yamaguchi, Hideki Fujiwara |
| 15:40-17:20 | 3P038 | Preparation and properties of pyrazinoquinoxaline derivatives with hydrogen bonding and electron accepting units (IMRAM, Tohoku Univ.) *Takashi Takeda, Tomoyuki Akutagawa |
| 15:40-17:20 | 3P039 | Proton conduction of coordination polymer complex with chloranilate ion as ligand (Graduate school of Chemical Sciences and Engineering, Hokkaido Univ.1,Department of Chemistry, Facility of Science, Hokkaido Univ.2) *Ryo Sakurada1, Goro Maruta2, Yoshiyuki Kageyama2, Sadamu Takeda2 |
| 15:40-17:20 | 3P040 | Measurement of thermal conductivity for Li2([18] crown-6)3[Ni(dmit)2]2(H2O)4 exhibiting ionic conductivity (Graduate School of Science, Hiroshima Univ.1,Institute for Advanced Materials Research, Hiroshima Univ.2,Chirality Research Center, Hiroshima Univ.3) *Takumi Nishimura1, Katsuya Ichihashi1, Daisuke Konno1, Kseniya Maryunina1,3, Katsuya Inoue1,2,3, Sadafumi Nishihara1,2,3 |
| 15:40-17:20 | 3P041 | Infrared study on photo-induced metastable state and ultrafast dynamics of Fe(Ⅱ) complexes exhibiting proton transfer coupled spin transition (Graduate School of Science and Engineering, Aoyama Gakuin Univ.1,Institution for Materials Chemistry and Engineering, Kyushu Univ.2) *Yusuke Horie1, Hajime Okajima1, Takumi Nakanishi2, Osamu Sato2, Akira Sakamoto1 |
| 15:40-17:20 | 3P042 | Dielectric properties of complexes including [V2O3]n+ unit (Graduate School of Science, Hiroshima Univ.1,Chirality Research Center, Hiroshima Univ.2,Institution for Advanced Materials Research, Hiroshima Univ.3) *Kazuki Hageo1, Kseniya Maryunina1,2, Katsuya Inoue1,2,3, Sadafumi Nishihara1,2,3 |
| 15:40-17:20 | 3P043 | Preparations and Physical Properties of Crystalline Heterometallic Solid Solutions (Graduate School of Science, kyushu Univ) *Hibiki Sejima, Shinji Kanegawa, Takumi Nakanishi, Osamu Sato |
| 15:40-17:20 | 3P044 | Influences of Ligand’s Substitutions in Molecular Conductors Consisted of TTF Analogues and Anionic Iron(III) Complexes (Kyushu Univ.) *Yoshihiro Fukumoto, Shinji Kanegawa, Osamu Sato |
| 15:40-17:20 | 3P045 | Synthesis and ferroelectric property of polar 1D manganese nitrides by self-assemblies of [Mn(N)(CN)4]2- (Department of Chemistry, Graduate School of Science and Technology, Kumamoto Univ.) *Junichi Yanagisawa, Ryo Ohtani, Shinya Hayami |
| 15:40-17:20 | 3P046 | Synthesis, structures, and physical properties of hydrogen-bonded novel charge transfer salts based on catechol-fused TTF derivatives having an ethylenedioxy group (Institute for Solid State Physics of the University of Tokyo) *Jun Ikeda, Akira Ueda, So Yokomori, Junya Yoshida, Hatsumi Mori |
| 15:40-17:20 | 3P047 | Organic Field-Effect Transistors based on Bisisatin Analogs (Graduate School of Materials and Chemical Technology, Tokyo Institute of Technology) *Dongho Yoo, Tsukasa Hasegawa, Minoru Ashizawa, Tadashi Kawamoto, Hidetoshi Matsumoto, Takehiko Mori |
| 15:40-17:20 | 3P048 | Chromism and thermal structural change in an orthogonal network assembled by methanol-coordination and hydrogen bond formation (Graduate School of Science and Technology for Innovation, Yamaguchi Univ.) *Misaki Shiga, Ryo Tsunashima |
| 15:40-17:20 | 3P049 | Visualization of charge activities at the semiconductor/insulator interface of OFET during operation by SFG spectroscopy (ASIT1,ADMAT2) *Haiya Yang1, Masato Miyashita2, Takayuki Miyamae1 |
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| 15:40-17:20 | 3P050 | Polarized Raman spectroscopy of isotopically diluted single-crystalline ice Ih (Graduate School of Science and Technology, Saitama Univ.) *Yuki Shioya, Yuki Nojima, Shoichi Yamaguchi |
| 15:40-17:20 | 3P051 | Effects of atomic layer Al2O3coating on single-particle ditections using micropores (ISIR) *Tomoki Hayashida, Makusu Tsutsui, Masateru Taniguchi |
| 15:40-17:20 | 3P052 | Measurement of molecular diffusion coefficient and reaction rate constant at solid-liquid interface by total internal reflection transient grating (Graduate School of Pure and Applied Sciences, University of Tsukuba) *Hidekazu Moritani, Masato Kondoh, Taka-aki Ishibashi |
| 15:40-17:20 | 3P053 | Electrochemical control of proton penetration by chemically modified graphene / gold electrode. (School of science, Hokkaido University1,Faculty of science, Hokkaido University2) *Hidetaka Hasebe1, Tomohiro Fukushima2, Kei Murakoshi2 |
| 15:40-17:20 | 3P054 | Determination of injection barrier at metal/organic interface using accumulated charge measurement Ⅰ (Graduate School of Material Science,University of Hyogo1,Graduate School of Engineering,University of Hyogo2) *Toshiaki Tanimura1, Takeshi Komino1, Tokuji Yokomatsu2, Kazusuke Maenaka2, Hiroyuki Tajima1 |
| 15:40-17:20 | 3P055 | Investigation of bulk quadrupole effect in sum frequency generation spectroscopy (Graduate School of Science, Tohoku Univ.1,ESICB, Kyoto Univ2,School of Pure and Applied Sciences, Univ Tsukuba3) *Wataru Mori1, Masato Kondoh3, Masanari Okuno3, Lin Wang1,2, Taka-aki Ishibashi3, Akihiro Morita1,2 |
| 15:40-17:20 | 3P056 | Preparation and optimization of the Langmuir-Blodgett single-layer film of sulfonated fullerenes and its ion-charge selective electron transfer. (Aichi Univ. of Edu.1,Inst. Mol. Sci.2,SOKENDAI3) *Yuta Mizuno1, Takumu Nomura1, Yusuke Kawasaki1, Kazuyuki Hino1, Kouji Miura1, Hideki Katayanagi2,3 |
| 15:40-17:20 | 3P057 | New ice structure formed around carbon nanotubes (Graduate School of Science, Okayama Univ.1,RIIS2) *Masaru Yamasaki1, Takuma Yagasaki2, Masakazu Matsumoto2, Hideki Tanaka2 |
| 15:40-17:20 | 3P058 | Measurement of OH radicals on the suraface from photodissociation of water ice at 8-70 K (Department of Molecular and Material Sciences, Kyushu Univ.) *Hiroaki Nishimoto, Akira Harata, Akihiro Yabushita |
[Clusters/particles/nanostructures]
| 15:40-17:20 | 3P059 | Formation of spatially focused ion beam in reflectron time-of-flight mass spectrometer (Graduate School of Science, Kyushu univ.) *Takefumi Handa, Masashi Arakawa, Takuya Horio, Akira Terasaki |
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| 15:40-17:20 | 3P060 | Theoretical study of hydrogen storage in nanocarbon cube (Graduate School of Science, Tokai Univ.) *Misaki Sato, Shigeru Ishikawa |
| 15:40-17:20 | 3P061 | Development of small Rh-cluster cocatalyst loaded photocatalyst and evaluation of its water-splitting photocatalytic activity (Graduate School of Science, Tokyo University of Science1,Graduate School of Engineering Science, Tokyo Metropolitan University2) *Yutaro Mori1, Wataru Kurashige1, Akihide Iwase1, Seiji Yamazoe2, Akihiko Kudo1, Yuichi Negishi1 |
| 15:40-17:20 | 3P062 | Selective synthesis and geometric and electronic structures of biicosahedral Au24Pd cluster (Graduate School of Science, Tokyo University of Science) *Yukari Imai, Sakiat Hossain, Syunjiro Takagi, Wataru Kurashige, Yuichi Negishi |
| 15:40-17:20 | 3P063 | Density functional theory calculation of relationship between solvated structures of alkali cations inside double-layer graphite and their electric capacity (Graduate School of Science and Technology, Kyoto Institute of Technology1,Graduate School of Engineering, Nagasaki Univ.2) *Marie Ishikura1, Takashi Yumura1, Koki Urita2, Takashi Wakasugi1 |
| 15:40-17:20 | 3P064 | Size-selective synthesis of polymer-stabilized gold-palladium alloy nanoclusters based on accelerated mixing by using ultra-fine microfluidic mixer (Fac. Sci. Tech., Keio Univ.1,Toshiba Machine2,KiPAS, Keio Univ.3) *Eriko Yazu1, Hironori Tsunoyama1, Katsutoshi Tanaka2, Atsushi Nakajima1,3 |
| 15:40-17:20 | 3P065 | Photo-thermal conversion dynamics of copper phthalocyanine nanorods excited with intense short pulse laser (Graduate School of Science and Engineering, Ehime Univ.) *Ryo Kihara, Yukihide Ishibashi, Tsuyoshi Asahi |
| 15:40-17:20 | 3P066 | Formation of Ca1Mn4O5+ clusters investigated by Thermal desorption spectrometry (Graduate School of Arts and Sciences, the Univ of Tokyo) *Yufei Zhang, Daigo Masuzaki, Satoshi Kudoh, Ken Miyajima, Fumitaka Mafune |
| 15:40-17:20 | 3P067 | Molecular structural change of fluoresceint nucleic acid induced by adsorption onto air/water interface (Graduate School of Science, Gakushuin Univ.1,Faculty of Science, Gakushuin Univ.2) *Taisuke Tomura1, Kanako Takahashi2, Hiroya Asami2, Jun-ya Kohno1,2 |
| 15:40-17:20 | 3P068 | Reaction of platinum oxide clusters and water investigated by thermal desorption spectrometry in the gas phase (Graduate School of Arts and Sci., Univ. Tokyo) *Ken Miyajima, Satoshi Kudoh, Fumitaka Mafune |
| 15:40-17:20 | 3P069 | SEIRA spectroscopy of lanthanide-diglycolamide complexes on gold surface (Graduate School of Science, Hiroshima Univ.1,Japan Atomic Energy Agency2) *Takumi Honda1, Daisuke Kajiya1, Masashi Kaneko2, Ken-ichi Saitow1, Takeharu Haino1, Takayuki Ebata1, Yoshiya Inokuchi1 |
| 15:40-17:20 | 3P070 | Optical properties of organic functional materials prepared by electron beam induced chemical reactions (Graduate School of Advanced Science and Engineering, Waseda University.) *Yoshio Kamura, Kohei Imura |
| 15:40-17:20 | 3P071 | Examination of the synthetic method of platinum nanocubes and observation of Raman Scattering Spectrum of biomolecules (Aichi Univ. of Edu.) *Moeka Obara, Yusuke Kousaka, Ayaho Inoue, Kazuyuki Hino |
| 15:40-17:20 | 3P072 | Electrochemical reduction of oxalic acid on shape-controlled TiO2 catalysts (Graduate School of Science, Kyushu Univ.1,WPI-I2CNER, Kyushu Univ.2,RIKEN Spring-8 Center3,School of Science, Tokyo Tech.4) *Hiroto Eguchi1, Masaaki Sadakiyo2,1, Kenichi Kato3, Gergely Juhasz4, Miho Yamauchi2,1 |
| 15:40-17:20 | 3P073 | Theoretical design of circular polarized luminescence in cylindrical molecular aggregates (IMS1,RCCS2,SOKENDAI3,Kyoto Univ. ESICB4) *Soichi Ito1,2,3,4 |
| 15:40-17:20 | 3P074 | Evaluation of charge of particles produced by electrospray ionization with ion mobility spectrometry (Dept. of Chem., Toho Univ.) *Fumiaki Uchiyama, Reona Miyamoto, Yudai Hoshino, Natsuki Terada, Toshiki Sugai |
| 15:40-17:20 | 3P075 | Collectivity indices of electronic excitation in silver cluster cations evaluated by TD-DFT calculation (Graduate School of Science, Kyushu Univ.1,The Open Univ. of Japan2,Kyoto Univ. ESICB3) *Shuhei Fujimoto1, Satoshi Kono1, Masashi Arakawa1, Tomokazu Yasuike2,3, Akira Terasaki1 |
| 15:40-17:20 | 3P076 | Symmetry and optical properties of plasmons exited in single metallic nanoplates (Graduate School of Advanced Science and Engineerng, Waseda Univ.1,Waseda Research Institute for Science and Engineering2) *Takuya Matsuura1, Seiju Hasegawa1, Keisuke Imaeda2, Kohei Imura1 |
| 15:40-17:20 | 3P077 | QM/MM study on conformational change and reactivity of Zinc-deficient SOD (Graduate School of Life and Environmental Sciences, Kyoto Prefectural Univ.1,Graduate School of Engineering, Kyoto Univ.2) *Natsumi Koyama1, Masami Lintuluoto1, Chiaki Yamada1, Juha Lintoluruoto2 |
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| 15:40-17:20 | 3P078 | Quantum chemistry approach to the reaction mechanism for enantioselectivity of lipase (Kyushu University) *Ayaka Shiomi, Yuuichi Orimoto, Yuriko Aoki |
| 15:40-17:20 | 3P079 | Cryogenic reflecting objective with a high numerical aperture and wide field of view. (Department of Physics, Tokyo Institute of Technology) *Takaki Ishii, Yasuharu Toratani, Masanori Fujiwara, Keita Ishida, Satoru Fujiyoshi, Michio Matsushita |
| 15:40-17:20 | 3P080 | Theoretical study on the relationship between hydrogen bonds and ionization potential of [2Fe-2S] ferredoxin by using the ONIOM method (Graduate School of Engineering Science, Osaka Univ.) *Iori Era, Hayato Tada, Shogo Aoki, Rena Teramoto, Yasutaka Kitagawa, Masayoshi Nakano |
| 15:40-17:20 | 3P081 | Application of two-dimensional fluorescence lifetime correlation spectroscopy to immobilized biomolecules (Graduate School of Sci and tech, Saitama Univ1,Mol.spectrosc.Lab.,RIKEN2,Center for Advanced Photonics, RIKEN3) *Kazuto Hasegawa1,2, Kunihiko Ishii2,3, Tahei Tahara2,3 |
| 15:40-17:20 | 3P082 | Evaluating temperature and molecular crowding in biofilms by ultralow-frequency Raman microspectroscopy (Kwansei Gakuin Univ.) *Yuki Yoshikawa, Yosuke Shimabata, Mitsuru Yasuda, Shinsuke Shigeto |
| 15:40-17:20 | 3P083 | Raman microspectroscopic study of bacterial biofilms that corrode stainless (Kwansei Gakuin Univ.1,Tsukuba Univ.2) *Kohei Shigeyoshi1, Nozomu Obana2, Shinsuke Shigeto1 |
| 15:40-17:20 | 3P084 | Anharmonic vibrational analysis on the active site of nitric-oxide reductase: a QM/MM study (TMS, RIKEN1,R-CCS, RIKEN2,BDR, RIKEN3) *Kenta Yamada1, Kiyoshi Yagi1, Yuji Sugita1,2,3 |
| 15:40-17:20 | 3P085 | Dynamics of the near-UV-light-induced peptide backbone cleavage and dissotiation of photo-cleavable protein (Department of Chemistry, Kyoto University) *Misato Ikoma, Yusuke Nakasone, Masahide Terazima |
| 15:40-17:20 | 3P086 | Reaction mechanisms of oxidosqualene cyclase with QM/MM-ONIOM method combined with multistructural microiteration technique (Faculty of Science, Hokkaido Univ.) *Kimichi Suzuki, Satoshi Maeda |
| 15:40-17:20 | 3P087 | Stability and UV-vis absorption spectra of isomers of carbon nanocage (Graduate School of Engineering, Shizuoka Univ.1,Institute for Solid State Physics, The Univ. of Tokyo2) *Yoshifumi Noguchi1, Osamu Sugino2 |
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| 15:40-17:20 | 3P088 | Theoretical Study of Hydrogen and Water Clusters (Nagasaki Nishi H.S.1,Faculty of Regional Studies, Gifu Univ.2,Faculty of Science and Technology, Keio Univ.3) *Haruto Saito1, Isshin Nakao1, Masato Yukino1, Yoshinobu Gondoh1, Tomohiro Hashimoto2, Suehiro Iwata3 |
| 15:40-17:20 | 3P089 | Quantum chemical study of multi-step electron transfer on keggin-type polyoxometalates (Grad. Sch. Sci., Kobe Univ.1,RIKEN AICS2) *Aki Takazaki1, Kazuo Eda1, Toshiyuki Osakai1, Takahito Nakajima2 |
| 15:40-17:20 | 3P090 | Mechanism of charge transfer in polymer/fullerene-free type organic solar cell (Graduate School of Science, Japan Women's Univ.1,School of Engineering, The University of Tokyo2) *Nozomi Ohta1, Azusa Muraoka1, Koichi Yamashita2 |
| 15:40-17:20 | 3P091 | Dissociation potential curve of homonuclear molecules by spin-symmetrized hartree-fock (Graduate School of Natural Science and Technology,Kanazawa University1,Institute for Frontier Science Initiative,Kanazawa University2) *Masato Mogi1, Fang han Lim1, Manami Nishida1, Tomonori Ida1, Motohiro Mizuno2 |
| 15:40-17:20 | 3P092 | Theoretical study on the third-order nonlinear optical properties of cyclooctatetraene introduced open-shell conjugated systems (Graduate School of Engineering Science, Osaka Univ.1,IMS2) *Yusuke Nishigaki1, Shota Takamuku1, Masaki Yamane1, Takayoshi Tonami1, Kenji Okada1, Ryohei Kishi1, Masayoshi Nakano1,2 |
| 15:40-17:20 | 3P093 | Theoretical study on single-molecular electron conductivity of paddlewheel-type complexes with metal-metal bonds by using elastic scattering Green’s function method. (Graduate School of Engineering Science, Osaka Univ.) *Hayato Tada, Iori Era, Rena Teramoto, Shogo Aoki, Yasutaka Kitagawa, Masayoshi Nakano |
| 15:40-17:20 | 3P094 | Estimation model for photochemical behavior of 1-methyl-3-(N-(1,8-naphtalimidyl)ethyl)imidazolium salt (Graduate School of Pure and Applied Sciences, Univ. of Tsukuba1,RIKEN, Advanced Intelligence Project2,Graduate School of Medicine, Kyoto Univ.3,Graduate School of Engineering, Tottori Univ.4,Graduate School of Frontier Sciences, Tokyo Univ.5,NIMS, Materials research by Information integration6) *Takehiro Fujita1, Kei Terayama2,3, Masato Sumita2, Hironori Izawa4, Kenji Morihashi1, Koji Tsuda2,5,6 |
| 15:40-17:20 | 3P095 | Theoretical elucidation of aggregation process in aqueous aluminum solution - its initial process and pH dependence - (Graduate School of Infomatics, Nagoya University) *Shoichi Yoshida, Yukichi Kitamura, Masataka Nagaoka |
| 15:40-17:20 | 3P096 | Theoretical calculation of photoelectron spectrum of anion (Department of Chemistry, Saitama Univ.1,Japan Atomic Energy Agency2) *Yuya Watabe1, Takaaki Miyazaki1, Eiki Ozama1, Toshiyuki Takayanagi1, Motoyuki Shiga2 |
| 15:40-17:20 | 3P097 | Theoretical calculations of positron annihilation spectra for proline (Department of Chemistry, Saitama University1,Graduate school of Nanobioscience, Yokohama City University2) *Yutaro Sugiura1, Kento Suzuki1, Toshiyuki Takayanagi1, Yukiumi Kita2, Masanori Tachikawa2 |
| 15:40-17:20 | 3P098 | Theoretical Study of Solvent Effects on Ortho-Phenylene Derivatives (Japan Women's Univ.) *Azusa Muraoka, Hirone Kiwaki |
| 15:40-17:20 | 3P099 | Low-rank approximation of molecular aggregates wavefunction for efficient calculations of excited states (Graduate School of Science, Kyoto Univ.) *Soichiro Nishio, Yuki Kurashige |
| 15:40-17:20 | 3P100 | Real-time propagation of electro-protonic wavefunctions of CH3OH by extended multiconfiguration time-dependent Hartree-Fock method (School of Science, The Univ. of Tokyo) *Ryuto Kimura, Tsuyoshi Kato, Kaoru Yamanouchi |
| 15:40-17:20 | 3P101 | Theoretical study on the air-stability of a caged trialkylphosphine ligand (SMAP) (Hokkaido Univ.1,Hokkaido Univ.2) *Yosuke Sumiya1, Chihiro Saka2, Tomoya Ichino1, Satoshi Maeda1 |
| 15:40-17:20 | 3P102 | Ab initio simulations of dehydration reactions for magnesium hydroxide (TherMAT1,CD-FMat, AIST2) *Yasuyo Shimodo1,2, Eiji Tsuchida1,2, Toyokazu Ishida1,2 |
| 15:40-17:20 | 3P103 | The study of stability for water-soluble nanocube based on the FMO (KYOCERA Corporation1,Graduate School of Science, Kyushu University2) *Takako Mashiko1, Norio Yoshida2, Hiroya Nakata1 |
| 15:40-17:20 | 3P104 | Theoretical analysis on the relation between the partially covalent nature of halogen bonding and the THz spectral intensity enhancement (Shizuoka Univ.) *Hajime Torii |
| 15:40-17:20 | 3P105 | Theoretical study on inelastic electron tunneling mediated by molecular wire (Nippon Steel & Sumitomo Metal Corporation) *Yoichi Matsuzaki |
| 15:40-17:20 | 3P106 | Theoretical Study on Open-Shell Nature, Aromaticity, and Nonlinear Optical Properties of Carbon Nanobelts (Graduate School of Engineering Science, Osaka Univ.) *Masaki Yamane, Ryohei Kishi, Takayoshi Tonami, Kenji Okada, Takanori Nagami, Masayoshi Nakano |
| 15:40-17:20 | 3P107 | Theoretical study of CF3+ + CO reaction based on IRC (Graduate School of Chemical Science and Engineering, Hokkaido Univ.1,Faculty of Arts and Science, Kyushu Univ.2,Graduate School of Science, Hokkaido Univ.3) *Kohei Oda1, Takuro Tsutsumi1, Kenji Furuya2, Tetsuya Taketsugu1,3 |
| 15:40-17:20 | 3P108 | Effect of dispersion force correction on automated reaction route exploration using density functional theory (Graduate School of Science1,Institute for Quantum Chemical Exploration2) *Naoki Kishimoto1, Koichi Ohno1,2 |
| 15:40-17:20 | 3P109 | Extension of MC_QM-CI-NEB method and its application (Gifu Univ.1,Yokohama City Univ.2,Hokkaido Univ.3) *Keita Sugiura1, Kimichi Suzuki3, Masanori Tachikawa2, Taro Udagawa1 |
| 15:40-17:20 | 3P110 | Theoretical study of chemical bond of aluminum nanowire in electrical conduction (Graduate School of Engineering, Kyoto Univ.) *Shunji Matsunaga, Masato Senami |
| 15:40-17:20 | 3P111 | Determination of acid dissociation constant at alcohol monolayer/aqueous solution interface by molecular dynamics simulation (Graduate School of Science and Engineering, University of Toyama,1,2Department of Chemistry, Graduate School of Science, Tohoku University2,Elements Strategy Initiative for Catalysts and Batteries(ESICB), Kyoto University3) *Toshimasa Yoshida1, Akihiro Morita2,3, Tatsuya Ishiyama1 |
| 15:40-17:20 | 3P112 | Effects of Pore-Surface Properties on the Electronic States of Re(bpy)(CO)3Cl Formed on Periodic Mesoporous Organosilica. (Toyota Central R&D Labs., Inc.) *Soichi Shirai, Minoru Waki, Yoshifumi Maegawa, Uri Yamada, Shinji Inagaki |
| 15:40-17:20 | 3P113 | Evaluation of thermal characteristics of Ionic liquids using molecular dynamics (Graduate School of Engineering, University of Fukui1,Faculty of Engineering University of Fukui2) *Hiroki Matsumoto1, Akinori Fukushima2 |
| 15:40-17:20 | 3P114 | Seach for BC hybrid structure (Graduate School of Systems Engineering, Wakayama University1,Faculty of Systems Engineering, Wakayama University2,Institute for Quantum chemical Exploration3) *Takuto Oki1, Yoshitomo Kodaya1, Hideo Yamakado2, Koichi Ohno3 |
| 15:40-17:20 | 3P115 | Accurate Modeling of Excited States of Light-Harvesting Complexes (Faculty of Science, Univ. of the Ryukyus1,IMS2,SOKENDAI3) *Masahiro Higashi1, Shinji Saito2,3 |
| 15:40-17:20 | 3P116 | Theoretical study on anion effects of oligomer formation of cytochrome c (Graduate School of Engineering and Science, Univ. of the Ryukyus1,Graduate School of Science, Kyushu Univ.2,Nara Institute of Science and Technology3,Department of Chemistry, Biology and Marine Science, Univ. of the Ryukyus4) *Hideyoshi Motoki1, Norio Yoshida2, Shun Hirota3, Masahiro Higashi4 |
| 15:40-17:20 | 3P117 | A model electronic Hamiltonian to study charge transfer and d-d excited states of the iron(II) tris(bipyridine) complex (Graduate School of Informatics, Nagoya Univ.) *Satoru Iuchi, Nobuaki Koga |
| 15:40-17:20 | 3P118 | Novel computational approach to evaluate carrier mobility in the amorphous phase (Department of Chemistry, Osaka Pref. Univ.1,Reseach Institute for Mol. Elect. Devices2) *Toshio Asada1,2, Shiro Koseki1,2 |
| 15:40-17:20 | 3P119 | Analysis of polarizability with natural perturbation orbitals (NPOs) obtained by singular value decomposition (SVD) (Graduate School of Science, TMU) *Masaya Miyamoto, Masahiko Hada |
| 15:40-17:20 | 3P120 | The Planarity of the Heteroatom Analogues of Benzene: Energy Component Analysis and the Strategy for the Planarization of Hexasilabenzene (Graduate School of Science and Technology, Gunma Univ.) Taiji Nakamura, *Takako Kudo |
| 15:40-17:20 | 3P121 | Theoretical study on the mechanism of photo-induced electron spin polarization of oligoacene molecules (Graduate School of Science, Kyoto Univ.) *Yuta Matsuzawa, Yuki Kurashige |
| 15:40-17:20 | 3P122 | Crystal structure exploration of silicon using the generalized scaled hypersphere search method under the rapid nuclear motion approximation (Graduate School of Systems Engineering, Wakayama Univ.1,Faculty of Systems Engineering, Wakayama Univ.2,Institute for Quantum Chemical Exploration3,Graduate School of Science, Tohoku Univ.4) *Yuuki Midoro1, Yoshitomo Kodaya1, Hideo Yamakado2, Koichi Ohno3,4 |
| 15:40-17:20 | 3P123 | Size-dependent catalytic activity of Pd clusters for C-X bond dissociation (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2,Elements Strategy Initiative for Catalysts and Batteries Interplay Between Experimental and Theoretical Studies3) *Yuta Iwabuchi1, Min Gao2,3, Tetuya Taketsugu1,2,3 |
| 15:40-17:20 | 3P124 | Investigation of surface properties using embedded cluster model incorporating electrostatic potential (ESICB, Kyoto Univ.1,FIFC, Kyoto Univ.2) *Masafuyu Matsui1, Shigeyoshi Sakaki2,1 |
| 15:40-17:20 | 3P125 | Theoretical study of rearrangement mechanism of nitrile oxide (School of Mater. Chem. Tech., Tokyo Tech.) *Yuki Ishiyama, Yoshihiro Hayashi, Susumu Kawauchi |