Poster Sessions

Wednesday, September 16(Starting at 16:40)

The number before P in the Presentation Number indicates whether the poster presentation is given on the 1st, 2nd, 3rd, or 4th day of the meeting.
You can open an abstract (pdf file) by following a link of Presentation Number from this web site.
Venue P

[Gas phase]

16:40-18:001P001Photofragment-ion imaging study of mass-selected cluster ions - development of a linear-type tandem reflectron mass spectrometer
(Graduate School of Science, Tohoku Univ.1,Faculty of Science, Tohoku Univ.2)*Keita Fujimoto1,Yuji Nakashima2,Kenichiro Yamazaki1,Kenichi Okutsu1,Motoyoshi Nakano1,Keijiro Ohshimo1,Fuminori Misaizu1
16:40-18:001P002[Canceled]Supersonicjet laser spectroscopy of calix[6]arene
(Hiroshima University)*Jun Aoki,Humiya Morishima,Yoshiya Inokuchi,Takayuki Ebata
16:40-18:001P003Development of a dual valve system for cold cluster ion production and its application to infrared predissociation spectroscopy
(Faculty of Science, Tohoku Univ.1,Graduate School of Science, Tohoku Univ.2)*Natsuko Sugawara1,Ryunosuke Shishido2,Asuka Fujii2
16:40-18:001P004The effect of Ar-tagging for the anharmonic coupling of the excess proton vibration in protonated binary clusters
(Graduate School of Science, Tohoku University1,Department of Physics, National Taiwan University2,Institute of Atomic and Molecular Sciences, Academia Sinica3)*Ryunosuke Shishido1,Ying-cheng Li2,3,Asuka Fujii1,Jer-lai Kuo3
16:40-18:001P005High-resolution laser spectroscopy of naphthalene S1-S0 transition: measurement of vibronic bands
(Kobe Univ.)*Takumi Nakano,Shinji Kuroda,Ryo Yamamoto,Shunji Kasahara
16:40-18:001P006High resolution infrared emission spectrum of GaH , GaD and non-Born-Oppenheimer analysis
(Graduate School of Science, Josai University1,alps giken Corporation2)*Shintaro Kikuchi1,Masanao Ishiduka1,Naoki Fushimi2,Koui Horiai1,Hiromichi Uehara1
16:40-18:001P007High resolution infrared emission spectra of InH and InD and non- Born-Oppenheimer analysis
(Graduate School of Science, Josai University.)*Shiori Yamaguchi,Shintaro Kikuchi,Masanao Ishiduka,Koui Horiai,Hiromichi Uehara
16:40-18:001P008High-resolution infrared emission spectrum of AlH, Δv=2 and non-Born-Oppenheimer analysis
(Graduate School of Science, Josai Univ.)*Masanao Ishiduka,Koui Horiai,Hiromichi Uehara
16:40-18:001P009Proton transfer reactions of insulin and insulin chain B ions in the gas phase
(Graduate School of Nanobioscience, Yokohama City Univ.)*Masato Miyazawa,Hideo Isono,Hiroki Akiyama,Taiju Tanimura,Shinji Nonose
16:40-18:001P010The laser spectroscopic study on hydration structure of anilinium ion in the temperature-variable ion trap
(Kitasato Univ.1,Kitasato Univ.2)*Itaru Kurusu1,Reona Yagi1,Yasutoshi Kasahara2,Haruki Ishikawa2
16:40-18:001P011Measurement of evaporation and freezing rates of a liquid droplet trapped in a vacuum
(Department of Chemistry, Kyushu University)*Kota Ando,Masashi Arakawa,Akira Terasaki
16:40-18:001P012Trapped ion electron diffraction apparatus for determination of geometrical structure of molecular ions
(Graduate School of Science, Tokyo Univ.)*Hideaki Tanaka,Keiko Kato,Reika Kanya,Kaoru Yamanouchi
16:40-18:001P013Ejection of triatomic hydrogen molecular ion from methanol and deuterated methanol induced by few-cycle intense laser pulses
(School of Science, Univ. of Tokyo)*Toshiaki Ando,Atsushi Iwasaki,Kaoru Yamanouchi
16:40-18:001P014Development of a highly-sensitive apparatus for femtosecond laser-assisted elastic electron scattering
(School of Science, The University of Tokyo)*Kakuta Ishida,Reika Kanya,Kaoru Yamanouchi
16:40-18:001P015A mathematical analysis on rotational excitation of diatomic molecules in a train of optical pulses including the effect of magnetic quantum number
(Graduate School of Engineering, Hiroshima Univ.1,Graduate School of Information Sciences, Tohoku Univ.2)*Leo Matsuoka1,Etsuo Segawa2
16:40-18:001P016The determination of energy partitioning of CH3ONO photodissociation by state-selected scattering distribution
(Graduate School of Science, Hiroshima Univ.)*Mitsue Katou,Shu Masumoto,Katsuyosi Yamasaki,Hiroshi Kohguchi
16:40-18:001P017Photodissociation dynamics of methylanisole in the gas phase with ArF laser excitation
(Graduate School of Science, Aoyama Gakuin Univ.)*Takumi Kaminaga,Toshiro Takayama,Tasuku Isozaki,Tadashi Suzuki
16:40-18:001P018Kinetics of the phenylperoxy radical reaction with NO
(Graduate School of Frontier Sciences, Univ. of Tokyo)*Maya Minamida,Long Ren,Kenichi Tonokura
16:40-18:001P019Dissociation mechanisms of OCS2+: Comparison between PIPICO experiment and GRRM calculation
(Faculty of Arts and Science, Kyushu Univ.)*Kenji Furuya
16:40-18:001P020The new experimental method for molecular-frame electron collision –the development of the new electron monochromator considering the space charge effect–
(Dept. of Chem. Tokyo Tech.)*Takuma Okumura,Yuma Mori,Masashi Kitajima,Kouichi Hosaka,Noriyuki Kouchi

[Solid phase]

16:40-18:001P021Hysteresis of proton conductivity in imidazolium sebacate crystal
(Graduate School of Natural Science and Technology , Kanazawa Univ.)*Ryo Yamagishi,Ryutaro Ohashi,Tomonori Ida,Motohiro Mizuno
16:40-18:001P022Analysis of In-dped ZnO by 67Zn NMR
(Graduate School of Science and Technology, Kanazawa Univ.1,NIMS2)*Ryutaro Ohashi1,Wataru Sato1,Motohiro Mizuno1,Shinobu Ohki2,Kenzo Deguchi2,Masataka Tansho2,Tadashi Shmizu2
16:40-18:001P023The effect of the pressure of the magnetic properties of A2 Mn[Mn(CN)6 ](A=Cs,Rb,K)
(Graduate School of Science, Osaka Univ1,Department of chemistry, Utah Univ2)*Masataka Sugimoto1,Yasuhiro Nakazawa1,Miller Joel s2
16:40-18:001P024Synthesis, crystal structure and Mg ionic conductivity of MgM2X8(M=Al,Ga;X=Cl,Br)
(Graduate School of Engineering, Shizuoka Univ.1,College of Industrial Technology, Nihon Univ.2)*Yasumasa Tomita1,Ayaka Nagata1,Makoto Morishita1,Kenkichiro Kobayashi1,Koji Yamada2
16:40-18:001P025Electronic structures of rhenium (III, IV) binuclear complexes in mixed-valence states as studied by single-crystal ESR spectroscopy in the principal axis system and quantum chemical calculations
(Graduate School of Science, Osaka City Univ.1,Graduate School of Science, Tokyo Univ. of Sci.2)*Takeshi Yamane1,Tomoki Nakagawa1,Shunsuke Tatsumi1,Kazunobu Sato1,Kenji Sugisaki1,Yuki Kanzaki1,Kazuo Toyota1,Daisuke Shiomi1,Makoto Yoshizawa2,Makoto Tadokoro2,Takeji Takui1
16:40-18:001P026Redox active metal-organic frameworks as the novel cathode active materials for lithium batteries
(Department of Chemistry, Nagoya Univ.1,School of Science and technology, Kwansei Gakuin Univ.2)*Zhongyue Zhang1,Hirofumi Yoshikawa2,Kunio Awaga1
16:40-18:001P027Synthesis and characterization of coordination polymers from metal hydrides
(Graduate School of Engineering, Kyoto University1,iCeMS, Kyoto Univ.2)*Kentaro Kadota1,Satoshi Horike1,Susumu Kitagawa1,2
16:40-18:001P028Syntheses, structures and electronic properties of the MX-chain composed of nickel dinuclear complex
(Graduate School of Science, Kyoto Univ.1,JST-CREST2,JASRI/SPring-83)*Ryota Hashiguchi1,Kazuya Otsubo1,2,Kunihisa Sugimoto3,Akihiko Fujiwara3,Hiroshi Kitagawa1,2
16:40-18:001P029Structural phase transition and magnetic properties in organic-inorganic perovskite like compound (C6H5C2H4NH3)2FeCl4
(Graduate School of Science, Hiroshima Univ1,Graduate School of ADSM , Hiroshima Univ2)*Yuki Nakayama1,Jing Han1,Maryunina Kseniya1,Sadafumi Nishihara1,Takashi Suzuki2,Katsuya Inoue1
16:40-18:001P030Molecular conductors composed of axially substituted metalloporphyrin
(Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2,JST-CREST3)*Masashi Kurokawa1,Hiroyuki Hasegawa2,3,Yukihiro Takahashi1,2,Jun Harada1,2,Tamotsu Inabe1,2,3
16:40-18:001P031Synthesis and physical properties of the phthalocyanine dinuclear complex [Mn(Ⅲ)(Pc)(CN)]2O
(Graduate School of Science, Osaka Univ.1,Graduate School of Science and Technology, Kumamoto Univ.2)*Mitsuo Ikeda1,Hiroshi Murakawa1,Masaki Matsuda2,Noriaki Hanasaki1
16:40-18:001P032Magnetic properties of (tetramethylporphyrinato)cobalt(II)
(Grad. School of Chem. Sci. and Eng., Hokkaido Univ.1,Facul. of Sci., Hokkaido Univ.2,JST-CREST, Japan3,Dep. Mater. and London Cent. Nano., Imperial College London4)*Sarasa Matsuno1,Yukihiro Takahashi1,2,Hiroyuki Hasegawa2,3,Jun Harada1,2,Tamotsu Inabe1,2,3,Hsiang-han Tseng4,Sandrine Heutz4
16:40-18:001P033Dielectric and gas adsorption properties of the lithium phthalocyanine radicals
(Grad. Sch. Sci. Technol., Kumamoto Univ.1,IMRAM, Tohoku Univ.2)*Miki Nishi1,Masaki Matsuda1,Kiyonori Takahashi2,Norihisa Hoshino2,Takashi Takeda2,Tomoyuki Akutagawa2
16:40-18:001P034Structure and magnetic properties of bisnitroxide compounds where the radical centers are located close to each other
(Dept. of Engineering Science, The Univ. of Electro-Communications)Naoki Koizumi,*Takayuki Ishida
16:40-18:001P035Synthesis and properties of benzotriazinyl-nitroxyl heterobiradical
(Dept. Appl. Chem., Keio Univ.)*Yusuke Takahashi,Youhei Miura,Naoki Yoshioka
16:40-18:001P036Shear stress induced spin-multiplicity transition in nitroxide radical spirally arranged along polypeptide-helix
(Faculty of Engineering, Tokyo Polytechnic Univ.)*Toshihiro Hiejima,Kohei Karino,Shogo Itazawa,Junpei Kaneko
16:40-18:001P037Magneto-Structural Correlation in salicylidene(4-nitronylnitroxide)aniline and Its Chromium(V) Nitride Complex
(Graduate School of Science and engineering, Keio Univ)*Shin Nakagome,Youhei Miura,Naoki Yoshioka
16:40-18:001P038Interconversion rate of [Fe(phen)2(NCSe)2] studied by high-resolution 77Se solid-state MAS-NMR
(Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2)*Taisuke Aoki1,Goro Maruta2,Sadamu Takeda2
16:40-18:001P039Theoretical investigation of magnetic interaction in organic spin systems and metal complex by the DMRG-CAS method
(Osaka Univ.1,Tsukuba Univ.2,Hiroshima City Univ.3)*Takashi Kawakami1,Toru Saito1,Mitsuo Shoji2,Keiji Kinoshita1,Yu Takano3,Shusuke Yamanaka1,Mitsutaka Okumura1,Kizashi Yamaguchi1
16:40-18:001P040Vapochromism and proton conductivity on a charge-transfer salt of a ferrate with oxonium ion
(Dept. Chemistry, Rikkyo Univ.1,Research Center for Smart Molecules, Rikkyo Univ.2)*Rikako Tanaka1,2,Masakazu Morimoto1,2,Nobuyuki Matsushita1,2
16:40-18:001P041Magnetic properties of heterole-bridged diazaporphyrin dimers
(Graduate School of Sci. and Tech. Niigata Univ.1,Center of instrumental analysis, Niigata Univ.2)*Yasuhisa Maruyama1,Satoshi Omomo1,Yoshihiro Matano1,Ko Furukawa2
16:40-18:001P042Synthesis and structures of charge-transfer complexs of Phenazine.
(Graduate School of Systems Engineering, Wakayama Univ.1,Faculty of Systems Engineering, Wakayama Univ.2)*Kensaku Sakai1,Hideo Yamakado2
16:40-18:001P043Study on single-molecule magnets consisting of 2,6-pyridinediyl dinitroxide and lanthanoid ions
(The Univ. of Electro-Communications)*Hinako Kawakami,Asato Tonegawa,Takayuki Ishida

[Surface/Interface]

16:40-18:001P044Electronic structure of dibenzopentacene monolayer on Au(111)
(Graduate School of Arts and Sciences, The Univ. of Tokyo1,College of Engineering, Yokohama National Univ.2)*Atsushi Suzuki1,Hirofumi Sato1,Yujiro Ito1,Masaru Aoki1,Ken-ichi Shudo2,Shigeru Masuda1
16:40-18:001P045Electron structure and surface state of pentacene thin film on wiring-pattern Cu-SiO2 substrate
(Graduate School of Advanced Integration Science,Chiba Univ.1,Institute for Molecular Science2)*Yuto Kambe1,Kazuaki Iwasawa1,Tatsuhiro Tago1,Yota Tsuboi1,Keiichirou Yonezawa1,Satoshi Kera2,Koji Okudaira1
16:40-18:001P046Electron spectroscopy and scanning tunneling microscopy of ultrathin dioctylchrysene films
(Fac. Engin., Tokyo Univ. Agric. & Technol.1,Grad. Sch. Engin., Tokyo Univ. Agric. & Technol.2,Grad. Sch. Bio-Appl. & Syst. Engin., Tokyo Univ. Agric. & Technol.3,Ushio Chemix Co., Ltd.4)*Elian Permatasari1,Makito Nakagawa1,Ryo Sekikawa2,Shohei Okuda2,Shoko Ikeda2,Shunya Yamazaki2,Matora Nakamoto2,Hiroyuki Ozaki2,Osamu Endo2,Kenji Ogino3,Hiroyuki Otsuki4,Kazuo Okamoto4
16:40-18:001P047H/D exchange reaction on ice films on Pt(111)
(Graduate School of Science, Kyoto univ.)*Fumiaki Kato,Kuniaki Harada,Yuji Otsuki,Norihiro Aiga,Toshiki Sugimoto,Kazuya Watanabe,Yoshiyasu Matsumoto
16:40-18:001P048Soft-landing of organometallic nanoclusters onto chemically modified self-assembled monolayers
(Faculty of Sci. & Tech., Keio Univ.1,JST-ERATO2,KiPAS3)Naoyuki Hirata1,Shoichiro Suga1,Yuji Noguchi1,*Atsushi Nakajima1,2,3
16:40-18:001P049Improvement of the simultaneous electrical and optical measurement system for confirming the formation of a bilayer lipid membrane
(Hiroshima City Univ.1,Gunma Univ.2)*Kodai Matsui1,Hisashi Fujiwara1,Takashi Ishiwata1,Masashi Sonoyama2
16:40-18:001P050Modification and Electrochemical Activity of NOR modified on Au electrodes
(Graduate School of Env. Sci., Hokkaido Univ.1,Faculty of Env. Earth Sci., Hokkaido Univ.2,Riken SPring-8 Center3)Kuniaki Yamaki1,Masaru Kato1,2,Takehiko Tosha3,*Ichizo Yagi1,2
16:40-18:001P051Rheology of water on vesicular surface as studied by DNP-NMR
(Grad. Sch. Chem. Sci. Eng.1,Faculty of Science,Hokkaido Univ.2,JST PRESTO3)*Ryota Kondo1,Yoshiyuki Kageyama2,3,Sadamu Takeda2
16:40-18:001P052Development of surface plasmon sensor in far-ultraviolet use aluminum thin film
(Kwansei Gakuin University, Graduate School of Science and Technology1,Institute of Industrial Science, the University of Tokyo2,Shizuoka University, Graduate School of Engineering3,JST-CREST4)*Takayuki Ryoki1,Ichiro Tanabe1,Yoshito Tanaka2,Takeyoshi Goto1,Masakazu Kikawada3,Wataru Inami3,4,Yoshimasa Kawata3,4,Yukihiro Ozaki1
16:40-18:001P053Local Structure Analysis at Alkali Metal Solution / Graphite Interfaces by Classical Molecular Dynamics Simulation
(Graduate School of Engineering Science, Osaka Univ.1,Graduate School of Engineering, Osaka Univ2)*Masaya Imai1,Yasuyuki Yokota1,Koji Inagaki2,Yoshitada Morikawa2,Ken-ichi Fukui1
16:40-18:001P054DFT calculations on energetically stable atomic configurations of graphene oxides
(Kyoto Institute of Technology)*Naoto Nishimura,Takashi Yumura,Takashi Wakasugi
16:40-18:001P055Electric potential dependence of local structure and mobility of [BMIM][TFSI] ionic liquids at graphite electrode : Molecular dynamics study
(Grad. Sch. Engineer. Sci., Osaka Univ.1,Grad. Sch. Engineer. Osaka Univ.2)*Hiroo Miyamoto1,Yasuyuki Yokota1,Akihito Imanishi1,Koji Inagaki2,Yoshitada Morikawa2,Ken-ichi Fukui1
16:40-18:001P056Distribution of hydrated ion clusters transported through water-oil interface
(Graduate School of Science, Tohoku Univ.1,ESICB, Kyoto Univ.2)*Lingjian Wang1,Nobuaki Kikkawa1,Akihoro Morita1,2
16:40-18:001P057Molecular dynamics study of structure of the water surface and the water bending mode
(Graduate School of Science, Tohoku University1,Graduate School of Science and Engineering, University of Toyama2,ESICB, Kyoto University3)*Shogo Tanaka1,Tatsuya Ishiyama2,Akihiro Morita1,3
16:40-18:001P058Analysis of Solid Electrolyte Interphase in Lithium Ion Battery by Using First-Principles Molecular Dynamics
(Fujifilm Corporation1,National Institute for Materials Science2,Kyoto University Elements Stragety Initiative for Catalysts & Batteries3)*Yukihiro Okuno1,Keisuke Ushirogata1,Yoshitaka Tateyama2,Keitaro Sodeyama3
16:40-18:001P059The roles of surface water on adhesion between metal and resin
(IMCE, Kyushu Univ.)*Hiroyuki Murata,Takayuki Semoto,Kazunari Yoshizawa
16:40-18:001P060Surface orientation dynamics of guest chromophores in guest-host NLO polymers
(Graduate School of Engineering, Shizuoka University)*Ryota Suzuki,Ryosuke Takasu,Yoshimasa Kawata,Atsushi Sugita
16:40-18:001P061Vibrational mode dependence in single-molecule imaging by plasmon enhanced Raman scattering
(The Open University of Japan1,ESICB, Kyoto Univ.2)*Tomokazu Yasuike1,2
16:40-18:001P062ARR absorption spectroscopy on photo-induced electron transfer reaction nearby solid-ionic liquid interface
(Graduate School of Science and Engineering, Tokyo Tech.)*Zhebin Fu,So Yanagibashi,Takuhiro Ogura,Akio Kawai

[Clusters/particles/nanostructures]

16:40-18:001P063Development of cluster ion source using high power impulse magnetron sputtering - cluster formation conditions and characterization of pulsed ion beams
(Tohoku Univ.1,ayabo2)*Kengo Akimoto1,Isamu Mizuchi1,Hiroaki Yamamoto2,Masahide Tona2,Keizo Tsukamoto1,2,Motoyoshi Nakano1,Keijiro Ohshimo1,Fuminori Misaizu1
16:40-18:001P064Cluster-size and collision-energy dependences of morphology of Pt cluster deposited on Si substrate by cluster impact
(Genesis Res. Inst. Inc.1,Toyota tech. Inst.2)*Nobuyuki Fukui1,Hisato Yasumatsu2
16:40-18:001P065Structure and photodissociation reaction of Ti-acetone cluster ions studied by time-of-flight reflectron imaging spectrometry
(UEC)*Hidenori Iwasaki,Shota Shimokawara,Yoshihiro Yamakita
16:40-18:001P066Positive and negative cluster ions produced from ethanol droplets by fast ion irradiation
(Graduate School of Engineering, Kyoto Univ.)*Kensei Kitajima,Takuya Majima,Yoshiki Oonishi,Hidetsugu Tsuchida,Akio Itoh
16:40-18:001P067CO-adsorption reaction on iron oxide cluster ions investigated by ion mobility mass spectrometry
(Graduate School of Science, Tohoku Univ.)*Tatsuya Komukai,Ryoichi Moriyama,Motoyoshi Nakano,Keijiro Ohshimo,Fuminori Misaizu
16:40-18:001P068Development of a new method of nano-imaging of optical activity with near-field illumination
(The Graduate University for Advanced Studies1,Institute for Molecular Science2,JST-PRESTO3)*Shun Hashiyada1,2,Tetsuya Narushima1,2,3,Hiromi Okamoto1,2
16:40-18:001P069Interactions between Ca2+ and formamide molecules in solutions
(Kyushu Univ.)*Kazuhiko Ohashi,Nobutaka Hikiishi,Hiroshi Sekiya
16:40-18:001P070Solvation structures of Co2+ in formamide solutions
(Graduate School of Science, Kyushu Univ.)*Nobutaka Hikiishi,Kazuhiko Ohashi,Hiroshi Sekiya
16:40-18:001P071Highly polar environment within an aromatic micelle
(Molecular Spectroscopy Laboratory, RIKEN1,Tokyo Institute of Technology2,RIKEN Center for Advanced Photonics3)*Matthew Sartin1,Kei Kondo2,Satoshi Takeuchi1,3,Michito Yoshizawa2,Tahei Tahara1,3
16:40-18:001P072Elementary carrier relaxation processes in graphene-gold nanoparticles systems by femtosecond near-IR transient absorption spectroscopy
(Kwansei Gakuin Univ.)*Atsushi Yamada,Yasunori Kutsuma,Tetsurou Katayama,Tadaaki Kaneko,Naoto Tamai
16:40-18:001P073Reaction of rhodium cationicclusters, Rhn+, with NO in thermal energy region
(The Univirsity of Tokyo)*Yuki Tawaraya,Satoshi Kudoh,Ken Miyajima,Fumitaka Mafune
16:40-18:001P074Size and temperature dependence on Auger recombination of CdSe nanoplatelets
(Kwansei Gakuin Univ.)*Yuki Usui,Tomoki Okuhata,Tetsuro Katayama,Naoto Tamai
16:40-18:001P075Infrared absorption spectra of acetic acid clusters
(AIST)*Fumiyuki Ito
16:40-18:001P076Reaction of PdAu10 cluster with Cu salts and Ag salts
(Graduate School of Science, Ibaraki Univ.1,School of Science, Ibaraki Univ.2)*Ayaka Sugano1,Akira Izuoka2
16:40-18:001P077A quantum chemical and matrix isolation infrared study of the methyl isocyanate-formic acid complexes
(Faculty of Engineering, Iwate Univ.)*Eiichi Suzuki,Tsuyuki Shimizu,Hitoshi Yashiro
16:40-18:001P078Elucidation of emission site switching in branched multipolar chromophores by using azimuthal and radial polarizations
(Graduate School of Science, Rikkyo Univ.1,Graduate School of Science, Shizuoka Univ.2)*Yasushi Takakura1,Hiroshi Fujiwara2,Kenji Kobayashi2,Masaaki Mitsui1
16:40-18:001P079Synthesis and catalytic activities of multi-metallic clusters using a dendrimer template
(Chemical Resources Laboratory, Tokyo Tech)*Hiromu Koizumi,Masaki Takahashi,Takane Imaoka,Kimihisa Yamamoto
16:40-18:001P080Synthesis and magnetic properties of tetragonal Fe-based nanoalloys
(WPI-I2CNER, Kyushu Univ.1,School of Engineering, Tohoku Univ.2,JST CREST3)*Kazuya Ohkubo1,3,Miho Yamauchi1,3,Masashi Matsuura2,3,Satoshi Sugimoto2,3
16:40-18:001P081Catalytic Activity of Palladium Nanoparticle Synthesized Phenylazomethine Dendrimer
(Tokyo Institute of Technology, Chemical Resources Laboratory1,International Christian University2)*Taku Kofuku1,Hirokazu Kitazawa1,Ken Albrecht1,Wang jae Chun2,Takane Imaoka1,Kimihisa Yamamoto1
16:40-18:001P082Synthesis and properties of ring-shaped multi nuclear Pt-thiolate complexes
(Tokyo tech, Chemical Resouces Laboratory)*Kentaro Ishihara,Shogo Tsuchiya,Takane Imaoka,Kimihisa Yamamoto

[Theory/calculation]

16:40-18:001P083Theoretical analysis of the transition-state spectrum of the cyclooctatetraene unimolecular reaction
(Graduate School of Science and Engineering, Saitama Univ.1,Faculty of Science, Saitama Univ.2)Takahiko Yoshida1,*Chihiro Tokizaki2,Toshiyuki Takayanagi1
16:40-18:001P084Development of optimal control simulation including pulse-propagation effect
(Graduate School of Science, Tohoku Univ.)*Kaoru Nakashima,Yukiyoshi Ohtsuki,Hirohiko Kono
16:40-18:001P085Vibrational VSCF-CI calculations of multidimensional double-well systems using the curvilinear coordinate
(Graduate School of Science and Engineering)*Hibiki Iwase,Kenro Hashimoto
16:40-18:001P086Reduced-dynamics optimal control for implementing quantum gates with microwave pulses
(Graduate School of Science, Tohoku Univ.)Kenta Arai,*Yukiyoshi Ohtsuki
16:40-18:001P087R dependence effect of electronic transition moment on theoretical band strength distribution for D2Σ+―A2Π transition of AlO
(no affiliation)*Nobumitsu Honjou
16:40-18:001P088Deciphering timescale hierarchy encoded in isomerization reaction networks of complex molecular systems
(Graduate School of Life Science Hokkaido Univ.1,Graduate School of Science Hokkaido Univ.2,Research Institute for Electronic Science3,Graduate School of Science and Engineering, Saitama Univ.4)*Yutaka Nagahata1,Satoshi Maeda2,Hiroshi Teramoto1,3,Chun-biu Li2,3,Takashi Horiyama4,Tetsuya Taketsugu2,Tamiki Komatsuzaki1,3
16:40-18:001P089Theoretical study of the rare gas matrix effects in vibrational spectroscopy of transition metal complexes (2)
(Hokkaido Univ.1,RIKEN2)*Yuriko Ono1,Kiyoshi Yagi2,Tetsuya Taketsugu1
16:40-18:001P090Electronic excited states of ortho-phenylene molecules
(Japan Women's University)Azusa Muraoka,*Nao Fukabori,Kaho Mineki,Chiaki Hiraiwa
16:40-18:001P091Theoretical analysis for the absorption intensities of theπgu combination band of polyyne using local mode model
(Graduate School of Science and Technology, Keio Univ.1,Tokyo Institute of Technology2)*Masafumi Tsuyuki1,Hideto Kanamori2,Satoshi Yabushita1
16:40-18:001P092Theoretical Study of Thermal Degradation of Glucoside in Aquerious
(Chiba Institute of Technology)*Yoshiki Ando,Kaoru Onoe,Norifumi Yamamoto
16:40-18:001P093pH dependence analysis of X-ray emission spectra for aqueous acetic acid
(Graduate School of Science, Hiroshima Univ.1,Graduate School of Science, Yamaguchi Univ.2,RIKEN/SPring-8 center3,ISSD, Hiroshima Univ.4)*Naohiro Nishida1,Yuka Horikawa2,Takashi Tokushima3,Osamu Takahashi4
16:40-18:001P094Theoretical study on the intramolecular charge density migration caused by the OH stretching vibrations of some acids and alcohols
(Graduate School of Keio Univercity)*Ryo Hosaka,Masafumi Tsuyuki,Takamasa Sasaki,Satoshi Yabushita
16:40-18:001P095AIMD simulation of IR spectra of trifluoromethanesulfonic acid hydrates
(FC-Cubic1,AIST2)*Makoto Yamaguchi1,Akihiro Ohira1,2
16:40-18:001P096Theoretical study of solvent effect on the excited state in aggregation system
(Graduate School of Chem. Sci. and Eng., Hokkaido Univ.1,Catalysis Research Center, Hokkaido Univ.2)*Kazuma Yanai1,Jun-ya Hasegawa2
16:40-18:001P097Theoretical study of Co-catalyzed conversion of dinitrogen into silylamine
(Institute for Materials Chemistry and Engineering, Kyushu Univ.1,Elements Strategy Initiative for Catalysts and Batteries, Kyoto Univ.2,School of engineering, The University of Tokyo3)*Yuki Matsuo1,Hiromasa Tanaka2,Ryuji Imayoshi3,Kazunari Nakajima3,Yoshiaki Nishibayashi3,Kazunari Yoshizawa1
16:40-18:001P098Path integral molecular dynamics study on muoniated acetone radical
(Graduate School of Nanobioscience, Yokohama City Univ.1,IMS2)*Yuki Oba1,Tsutomu Kawatsu1,2,Masanori Tachikawa1
16:40-18:001P099Mechanistic Studies of Co-polymerization via ZnR2-mediated Chain shuttling between Zr and Hf Catalysts
(Department of Complex Systems Science, Graduate School of Information Science, Nagoya University1,JST-CREST2)*Sandhya Karakkadparamabil sankaran1,2,Koga Nabuaki1,2,Nagaoka Masataka1,2
16:40-18:001P100Theoretical study of the SnCl2-catalyzed nucleophilic substitution reaction of propargyl alcohol derivatives
(Sophia Unive.)*Mizuho Nakamura,Ayaka Akiyama,Sodai Takashima,Kaduoki Tsukamoto,Noriyuki Suzuki,Yoshiro Masuyama,Shinkoh Nanbu
16:40-18:001P101[Canceled]Theoretical analysis for isomerization of stilbene using 2D electronic spectroscopy
(Graduate School of Science, Kyoto Univ.)*Tatsushi Ikeda,Yoshitaka Tanimura
16:40-18:001P102Theoretical investigation on photoexcitation dynamics of bis(diimine)copper(Ⅰ) complex
(Graduate School of Engineering and Science, Univ. of the Ryukyus1,Faculty of Science, Univ. of the Ryukyus2)*Asaka Agena1,Masahiro Higashi2
16:40-18:001P103Development of molecular simulation method depending on the pH conditions
(Graduate School of Science, Nagoya Univ.1,JST-CREST2,ESICB3)*Yukichi Kitamura1,2,Masataka Nagaoka1,2,3
16:40-18:001P104quantum chemistry calculation of solubility for gaseous molecules: a harmonic solvation model study
(Research Institute for Science and Engineering, Waseda University1,Department of Chemistry and Biochemistry, Waseda University2,JST-CREST3,ESICB, Kyoto university4)*Ishikawa Atsushi1,Masahiro Kamata2,Hiromi Nakai1,2,3,4
16:40-18:001P105Theoretical study on the relationships between open-shell nature, magnetic interaction, and third-order nonlinear optical properties of asymmetric open-shell molecules
(Graduate School of Engineering Science)*Masayoshi Nakano
16:40-18:001P106A theoretical modelling of high-dielectric-constant donors and acceptors in organic thin film solar cells
(Graduate School of Engineering, The University of Tokyo1,CREST, JST2)*Kenji Mishima1,2,Koichi Yamashita1,2
16:40-18:001P107Exploration of crystal structures of benzene by using Generalized Scaled Hypersphere Search method with MMFF94 force field
(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)*Yoshitomo Kodaya1,Hideo Yamakado2,Koichi Ohno3,4
16:40-18:001P108Theoretical investigation on molecular properties of MPc2 and MPc2+ (M = Ti, Nb)
(Graduate School of Science and Engineering, Yamaguchi Univ.1,Graduate School of Science and Technology, Kumamoto Univ.2,RIKEN AICS3)*Michinori Sumimoto1,Nobutsugu Hamamoto2,Yukio Kawashima3,Kenji Hori1,Hitoshi Fujimoto2
16:40-18:001P109Theoretical studies of structural and electronic properties of doped BaTaO2N systems
(School of Engineering, Univ. Tokyo1,CREST-JST2)*Hiroki Iriguchi1,2,Giacomo Giorgi1,2,Koichi Yamashita1,2
16:40-18:001P110Ab-initio investigations on the anion ordering and band structure of oxynitride photocatalyst CaTaO2N
(The univ. of Tokyo1,JST-CREST2)*Ayako Kubo1,2,Giacomo Giorgi1,2,Koichi Yamashita1,2
16:40-18:001P111Reactive intermediates formed in dioxygen-activated Cu‒ZSM-5 with one or two water molecules
(Kyoto Institute of Technology1,Okayama Univ.2)*Yuki Hirose1,Takashi Yumura1,Takashi Wakasugi1,Yasushige Kuroda2,Hisayoshi Kobayashi1
16:40-18:001P112Density functional theory calculations on silver clusters inside a ZSM-5 zeolite cavity
(Kyoto Institute of Tech.1,Grad. Sch. Nat. Sci. Technol., Okayama Univ.2)*Mitsuhiro Kumondai1,Akira Oda2,Takashi Yumura1,Takashi Wakasugi1,Yasushige Kuroda2,Hisayoshi Kobayashi1
16:40-18:001P113A theoretical study of thermal energy storage materials
(AIST, NRI1,Thermal Management Materials and Technology Research Association2)*Shinya Tsukamoto1,2,Toyokazu Ishida1,2
16:40-18:001P114Theoretical study for molecular vibrational excitations induced by electric fields localized at surfaces
(Faculty of Science, Hokkaido Univ.1,Kyoto Univ., ESICB2)*Masato Takenaka1,Takeshi Iwasa1,2,Tetsuya Taketsugu1,2
16:40-18:001P115Exploring pathways of surface chemical reactions by the AFIR Method: A case study of CO oxidation reaction on Au surfaces
(Graduate School of Chemical Sciences and Engineering, Hokkaido Univ1,Graduate School of Science, Hokkaido Univ2,ESICB, Kyoto Univ3,JST CREST4)*Makito Takagi1,Sathoshi Maeda2,3,4,Tetsuya Taketsugu2,3,4
16:40-18:001P116Charge transfer type excitons at the donor/acceptor interface of organic solar cells
(Japan Women's University1,The University of Tokyo2,CREST, JST3)*Azusa Muraoka1,3,Mikiya Fujii2,3,Kenji Mishima2,3,Ryota Jono2,3,Koichi Yamashita2,3
16:40-18:001P117Computational study of the hetero-junction effects in polymer-stabilized gold cluster catalysts
(Graduate School of Science, Osaka Univ.)*Kohei Sakata,Kohei Tada,Atsushi Oguni,Yudai Kondo,Toru Saito,Takashi Kawakami,Shusuke Yamanaka,Mitsutaka Okumura
16:40-18:001P118A quantum chemical study on the structure and reactivity of SiC and SiGe nano sheets
(Yokohama National University)*Takuya Hirami,Ryotaro Takahashi,Kota Sato
16:40-18:001P119NB-MMMO method for the prediction of the spin state stability in open-shell polymer systems
(Faculty of Engineering Sciences, Kyushu Univ.1,JST-CREST2)*Xun Zhu1,Yuriko Aoki1,2
16:40-18:001P120Storong correlation in pi-conjugated systems
(Toyohashi University of Tech)*Tomoharu Yoshida,Shinji Hamada,Hideo Sekino