第11回分子科学討論会

Poster Sessions

Monday, September 18 (13:10 - 14:50)

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

[Gas phase]

13:10-14:50 4P001Development of gas phase picosecond time resolved infrared spectroscopy beyound the Fourier limit -Application to water migration reactions in acetanilide-water cluster by photoionization-
(LCLS, Tokyo Institute of Technology1,Kitasato Univ.2)*Jumpei Ono1,Mitsuhiko Miyazaki1,Megumi Ono1,Tairiku Kamiya2,Haruki Ishikawa2,Masaaki Fujii1
13:10-14:50 4P002Observation of the isomerization of the hydrated phenol cations
(Kitasato Univ.1,Kitasato Univ.2)*Hikaru Sato1,Ryota Kato1,Yasutoshi Kasahara2,Haruki Ishikawa2
13:10-14:50 4P003Anharmonic Vibrational Calculation in the CH Stretching Vibrational Region of C6H5-CH2X (X = Cl, OH, OCH3)
(fukuoka univ.1,RIKEN2)*Shuhei Yamaguchi1,Mikina Sakai1,Kohei Nishizono1,Yuji Yamada1,Yoshinori Nibu1,Kiyoshi Yagi2
13:10-14:50 4P004Structure of hydrogen bonding complexes produced by the photochemical reaction of thiazole
(Dep. of Phar., Hokuriku Univ.1,Graduate School of BASE, Tokyo Univ. of Agri. & Tech.2)*Jun Miyazaki1,Takahiro Hatayama2,Nobuyuki Akai2,Munetaka Nakata2
13:10-14:50 4P005Line Survey of Organic Molecules : Detection of HOCO+ in Massive Star Forming Region W49A
(Department of Chemistry, Tokyo University of Science1,Department of Physics, College of Engineering Nihon University,2,Department of Materials and Life Sciences, Sophia University3,National Astronomical Observatory of Japan4)*Yoshiaki Minami1,Mitsunori Araki1,Shuro Takano2,Takahiro Oyama1,Nobuhiko Kuze3,Kazuhisa Kamegai4,Koichi Tsukiyama1
13:10-14:50 4P006[Withdraw]
13:10-14:50 4P007Theoretical study of photodissociation dynamics of sulfuric acid after excitation to the fourth excited state (S4)
(Sophia Univ.)*Yuya Saga,Danielache Sebastian o.,Shinkoh Nanbu
13:10-14:50 4P008An electron momentum spectroscopy study for elucidating the range of the validity of the plane wave impulse approximation (II)
(IMRAM, Tohoku Univ.)*Isao Nakajima,Masakazu Yamazaki,Noboru Watanabe,Masahiko Takahashi
13:10-14:50 4P009Development of apparatus for laser-assisted electron impact ionization
(Univ. of Tokyo1,Max Planck Institute2)*Takashi Hiroi1,Yuya Morimoto2,Reika Kanya1,Kaoru Yamanouchi1
13:10-14:50 4P010Anisotropy of the velocity distribution of rare gas atoms in a beam observed by atomic momentum spectroscopy
(IMRAM,Tohoku Univ.)*Yuichi Tachibana,Masaki Hosono,Masakazu Yamazaki,Masahiko Takahashi
13:10-14:50 4P011Observation of laser-assisted electron scattering processes by an angle-resolved time-of-flight type electron analyzer
(School of Science, The Univ. of Tokyo)*Motoki Ishikawa,Kakuta Ishida,Reika Kannya,Kaoru Yamanouchi
13:10-14:50 4P012Extraction of electron–ion differential scattering cross sections for C2H6 by laser-induced rescattering photoelectron spectroscopy
(Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Japan1,Department of Chemistry, Texas A&M University, USA2,Department of Engineering Science, University of Electro-Communications, Japan3)*Shejuty Aktar1,Yuta Ito1,Misaki Okunishi1,Robert r. Lucchese1,2,Toru Morishita3,Kiyoshi Ueda1
13:10-14:50 4P013Molecular-frame electron scattering experiment on N2
(IMRAM, Tohoku Univ.)*Noboru Watanabe,So Yamada,Masahiko Takahashi

[Liquid phase]

13:10-14:50 4P014Excited State Proton Transfer Reaction of 5,8-Dicyano-2-naphthol in Supercritical Alcohols
(Department of Science and Engineering, Doshisha Univ.1,Graduate School of Science and Engineering, Doshisha Univ.2)*Yoshifumi Kimura1,2,Kaori Fujii2,Masaki Shibayama1,Yoshiro Yasaka1,Masakatsu Ueno1
13:10-14:50 4P015Excited-state proton transfer of cyanonaphthols in protic ionic liquids: appearance of a new fluorescent species
(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,Department of Fundamental Sciences, Graduate School of Science and Technology, Niigata Univ.3,Department of Chemistry, Faculty of Science, Niigata Univ.4)*Kaori Fujii1,Yoshiro Yasaka2,Masakatsu Ueno2,Yoshinari Koyanagi3,Sora Kasuga3,Yoshihiro Matano4,Takatsugu Endo2,Yoshifumi Kimura1,2
13:10-14:50 4P016The molecular theory elucidation of negative pressure inside a spherical shell in electrolyte solution
(Graduate School of Engineering, Nagoya Univ.)*Kouhei Shima,Hidekazu Kojima,Kazushi Fujimoto,Wataru Shinoda,Susumu Okazaki
13:10-14:50 4P017Influences of Ionic Strength and pH to Amiyloidogenic Aggregation Mechanism in Pentapeptide Fragment of Human Calcitonin
(Tokyo University of Science, Pharm)*Takahiro Kasai,Takashi Wada,Tomoyo Sakaguchi,Yoshiko Minami,Yohsuke Shimada,Satoru Goto
13:10-14:50 4P018Rheology and Structural Dynamics of 3,7-dimethyl-1-octanol
(Graduate School of Engineering, Nagoya University1,Fuculty of Science, Fukuoka University2,Research Reactor Institute, Kyoto University3)*Tsuyoshi Yamaguchi1,Koji Yoshida2,Toshio Yamaguchi2,Makina Saito3,Makoto Seto3
13:10-14:50 4P019Pathway of vibrational energy transfer in proteins
(Graduate School of Science, Osaka Univ.)*Satoshi Yamashita,Misao Mizuno,Masato Kondoh,Yasuhisa Mizutani
13:10-14:50 4P020Microscopic mechanism of facilitated ion transfer through liquid-liquid interface
(Graduate School of Science, Tohoku Univ.1,ESICB, Kyoto Univ.2)*Hirofumi Tahara1,Akihiro Morita1,2
13:10-14:50 4P021Connecting thermodynamic and dynamical anomalies of water-like liquid-liquid transition in Fermi-Jagla model
(Niigata Univ.1,Oosaka Univ.2)*Daiki Kato1,Saki Higuchi1,Daisuke Awaji1,Kang Kim2
13:10-14:50 4P022Brownian motion in methanol, ethanol, and 1-propanol aqueous solution
(Nihon Univ.)*Sumito Kuronuma,Kazuki Furukawa,Ken Judai
13:10-14:50 4P023Time-resolved circular dichroism study on the photo-excited triplet state of [6]carbohelicene
(IMRAM, Tohoku Univ.1,Graduate School of Engineering, Osaka Univ.2)*Makoto Kuronuma1,Yota Kikuchi1,Takehito Sato1,Yasuyuki Araki1,Tadashi Mori2,Takehiko Wada1

[Solid phase]

13:10-14:50 4P024Structures and properties of paramagnetic metal complexes with redox active ligands and application to magnetosensitive transistors
(Graduate School of Science and Engineering, Ibaraki Univ.1,Graduate School of Pure and Applied Science, Univ. of Tsukuba2,Research Center for Photovoltaics, AIST3,Electronics and Photonics Research Institute, AIST4)*Atsushi Wachi1,Takuya Shiga2,Hiroki Oshio2,Yuichi Shimazaki1,Masayuki Chikamatsu3,Reiko Azumi4,Hiroyuki Nishikawa1
13:10-14:50 4P025Photo-induced magnetic properties for covalent organic framework including Cu(II) ion
(Center for Coordination of Research Facilities, Niigata Univ.1,Faculty of Science, Niigata Univ.2,JAIST3)*Ko Furukawa1,Hidehito Otaka2,Donglin Jiang3
13:10-14:50 4P026Resistivity and Static Susceptibility of Quasi One Dimensional Organic Conductors β-(BPDT-TTF)2X (X=IBr2 , AuBr2)
(Graduate School of Medicine, Engineering, and Agricultural Sciences, Yamanashi University1,Center for Crystal Science and Technology, Yamanashi University2,Institute for Materials Research, Tohoku University3)*Yoshihiro Okane1,Naoki Yoneyama1,Takahiro Takei2,Nobuhiro Kumada2,Ryota Kobayashi3,Kenichiro Hashimoto3,Takahiko Sasaki3
13:10-14:50 4P027Time-resolved VUV reflection spectroscopy of spatio-temporal dynamics of transparent solid in intense laser fields
(KPSI, QST)*Ryuji Itakura,Yoriko Wada,Hiroshi Akagi,Tomohito Otobe
13:10-14:50 4P028Synthesis, structures, and physical properties of a novel hydrogen-bonded charge transfer complex composed of catechol-fused TTF and dihydroxybenzoquinone
(The Institute for Solid State Physics, The University of Tokyo1,KEK PF/CMRC2)*Ryohei Doi1,Akira Ueda1,Reiji Kumai2,Youichi Murakami2,Hatsumi Mori1
13:10-14:50 4P029Syntheses of naphthalenediimide-based coordination polymer with enhancement of conductivity by chemical reduction
(Tohoku univ.1,Graduate School of Science, Tohoku univ.2,AIMR3)*Kentaro Fuku1,Momoka Miyata2,Hiroaki Iguchi2,Shinya Takaishi2,Masahiro Yamashita2,3
13:10-14:50 4P030Selective excitation of coherent oscillation modes in rubrene
(NAIST MS)*Keisuke Yano,Raiitsu Suzuki,Hiroyuki Katsuki,Hisao Yanagi
13:10-14:50 4P031Crystal structure and physical properties of anion radical salt of triptycene derivative with benzoquinone moieties
(Department of Chemistry, Nagoya Univ.1,Department of Chemistry, The Catholic Univ. of Korea2,Department of Materials Science and Engineering, Seoul National Univ.3,Department of Physics, Nara Women's Univ.4)*Yoshiaki Shuku1,Chang seok Hyun2,Young jun Ryu2,Byeong-kwan An2,Soo young Park3,Masahisa Tsuchiizu4,Kunio Awaga1
13:10-14:50 4P032Molecular Motion and Dielectric Response of Guanidinium – Alkylsulfonates
(Graduate School of Engineering, Tohoku Univ.1,Institute of Multidisciplinary Research for Advanced Materials2)*Takahiro Kobayashi1,2,Norihisa Hoshino1,2,Takashi Takeda1,2,Tomoyuki Akutagawa1,2
13:10-14:50 4P033Preparation and photophysical properties of tetraphenylethylene with PEG ester units
(IMRAM, Tohoku Univ.)*Takashi Takeda,Shunsuke Yamamoto,Masaya Mitsuishi,Tomoyuki Akutagawa
13:10-14:50 4P034Structure and dielectricity for hydrogen-bonding crystals constructed from Ru(III) complexes with six imidazole ligands
(TUS1,Tohoku Univ. IMRAS2)*Masaki Ito1,Ryota Nishimura1,Norihisa Hoshino2,Hajime Kamebuchi1,Tomoyuki Akutagawa2,Makoto Tadokoro1
13:10-14:50 4P035Theoretical study on charge effect of third-order nonlinear optical property for one-dimensional multi-radical hydrogen chain system.
(Department of Chemical Engineering, National Institute of Technology, Nara College1,Graduate School of Engineering Science, Osaka University2)*Wataru Yoshida1,Yoneda Kyohei1,Hiroshi Matsui2,Takanori Nagami2,Ryohei Kishi2,Masayoshi Nakano2
13:10-14:50 4P036Syntheses and characterization of charge-transfer complexes based on naphthalenediimide radical
(Graduate School of Science, Tohoku university)*Saiful Islam,Hiroaki Iguchi,Shinya Takaishi,Masahiro Yamashita
13:10-14:50 4P037Structural phase transitions in a [2-pyrrolidone]-[chloranilic acid] molecular complex with hydrogen-bond straps
(Graduate School of Science, Kyoto Univ.1,Japan Synchrotron Radiation Research Institute2)*Masaki Donoshita1,Mikihiro Hayashi1,Ryuichi Ikeda1,Shogo Kawaguchi2,Kunihisa Sugimoto2,Hiroshi Kitagawa1
13:10-14:50 4P038Structural transition and Dielectric Properties of Bisindolylmethylium salts
(ISSP, The Univ. of Tokyo)*Junya Yoshida,Hatsumi Mori
13:10-14:50 4P039Lattice dimensional effect in magnetism control of porous assembled complexes by lithium-ion battery
(Department of Chemistry, Graduate School of Science, Tohoku University1,Institute for Materials Research, Tohoku University2)*Nanami Shito1,Masaki Nishio2,Yoshihiro Sekine2,Wataru Kosaka2,Kouji Taniguchi2,Hitoshi Miyasaka2
13:10-14:50 4P040Synthesis and structure of hydrogen-bonded chain composed of DABCO-based hetero metal complexes
(Graduate School of Sciences and Technology for Innovation, Yamaguchi Univ.)*Yumi Harada,Ryo Tsunashima
13:10-14:50 4P041Diverse host-guest crystals of tetra[3,4]thienylenetetracarboxylic acid
(Graduate School of Engineering, Tohoku Univ.1,IMRAM, Tohoku Univ.2)*Masataka Ozawa1,Takashi Takeda1,2,Norihisa Hoshino1,2,Tomoyuki Akutagawa1,2

[Surface/Interface]

13:10-14:50 4P042Fabrication and characterization of LB films of fullerene - fatty acid mixed monolayers
(Inst. Mol. Sci.1,SOKENDAI2,Aichi Univ. of Edu.3)*Hideki Katayanagi1,2,Takumu Nomura3,Yusuke Kawasaki3,Yuta Mizuno3,Kazuyuki Hino3,Kouji Miura3
13:10-14:50 4P043Preparation and optimization of the Langmuir-Blodgett 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,Hideki Katayanagi2,3,Kazuyuki Hino1,Kouzi Miura1
13:10-14:50 4P044Molecular dynamics simulation of the acrylate-type polymer/water interface
(Graduate school of science and engineering, University of Toyama1,Graduate School of Science, Tohoku University2)*Sho Kishinaka1,Nobuhiro Yasoshima1,Akihiro Morita2,Tatsuya Ishiyama1
13:10-14:50 4P045IV-SFG studies on the effect of zwitterion additive on the anodic-stability of Lithium-ion battery
(Tokyo Institute of Technology1,Lintec Corporation2,Sophia Univ.3)*Chengzi Qi1,Yujiro Miwa1,Takashi Iwahashi1,Seitaro Yamaguchi2,Masahiro Fujita3,Yukio Ouchi1
13:10-14:50 4P046Polarized Raman spectroscopy of single crystalline ice Ih
(Graduate School of Science and Technology, Saitama Univ.)*Yuki Shioya,Misato Takahashi,Yuki Nojima,Shoichi Yamaguchi
13:10-14:50 4P047Hydrogen-bonded network structure of ice films on Pt(111)
(Graduate School of Science, Kyoto Univ.1,JST PRESTO2,Graduate School of Frontier Sciences, Tokyo Univ.3)*Kuniaki Harada1,Fumiaki Kato1,Toshiki Sugimoto1,2,Kozo Mukai3,Shinya Yoshimoto3,Jun Yoshinobu3,Kazuya Watanabe1,Yoshiyasu Matsumoto1
13:10-14:50 4P048Formation of hydrogen-bonding hetero-molecular-layers on the self-assembled monolayer
(Graduate School of Science, Osaka Univ.1,ISSP, Univ. of Tokyo2)*Hiroyuki Kato1,Shinya Yoshimoto2,Akira Ueda2,Susumu Yamamoto2,Hatsumi Mori2,Jun Yoshinobu2,Iwao Matsuda2
13:10-14:50 4P049Heterodyne-detected vibrational sum frequency generation studies on molecular structures of antimicrobial peptide gramicidin Langmuir and Langmuir-Blodgett monolayers
(Graduate school of pure and applied sciences, Univ. of Tsukuba)*Misato Kaji,Masanari Okuno,Taka-aki Ishibashi

[Clusters/particles/nanostructures]

13:10-14:50 4P050Time- and temperature-resolved proton transfer reactions of multiply- charged cytochrome c Ions
(Graduate School of science, Yokohama City Univ.)*Hoshiyuri Oji,Hayato Sasaoka,Yu Usui,Ryo Ishii,Shinji Nonose
13:10-14:50 4P051Compositions and structures of palladium oxide cluster ions studied by ion mobility mass spectrometry
(Graduate School of Science, Tohoku University1,Institute for Excellence in Higher Education, Tohoku University2)*Mohammad abdul Latif1,Jenna Wu1,Motoyoshi Nakano1,2,Keijiro Ohshimo1,Fuminori Misaizu1
13:10-14:50 4P052Obsevation of graphene quantum dot using ion trap ion mobility mesurement system.
(Graduate School of Science, Toho Univ.)*Yudai Hoshino,Hiroki Morita,Ryota Zinnouchi,Kazumasa Somei,Toshiki Sugai
13:10-14:50 4P053Time- and temperature-resolved proton transfer reactions of multiply-charged bimolecular Ions
(Yokohama City University)*Shinji Nonose,Hayato Sasaoka,Yu Usui,Hoshiyuri Oji,Ryo Ishii
13:10-14:50 4P054Fluorescence enhancement reaction by droplet collision of dansyl chloride solution and isopropylamine
(Graduate School of Science, Gakushuin Univ.)*Arin Shigeyama,Hiroya Asami,Jun-ya Kohno
13:10-14:50 4P055Detection of fast ion-induced reaction intermediates from ethanol droplets
(Graduate School of Engineering, Kyoto Univ.)*Kensei Kitajima,Takuya Majima,Shiori Mizutani,Manabu Saito,Hidetsugu Tsuchida
13:10-14:50 4P056Density Functional Theory Calculations on Nolinear Optical Properties of p,p’-dimethylaminonitrostilbenes inside Carbon Nanotubes
(Kyoto Institute of Tech.)*Wataru Yamamoto,Takashi Yumura
13:10-14:50 4P057Density Functional Theory Calculations on Solvated States of Alkali ions inside Double-layer Graphite
(KIT)*Marie Ishikura,Takashi Yumura,Takashi Wakasugi
13:10-14:50 4P058Electrochemical properties of polyoxovanadate-based materials
(School of Science and Technology, Kwansei Gakuin University)*Hirofumi Yoshikawa,Takeshi Shmizu,Heng Wang
13:10-14:50 4P059SEIRA Spectoscopic Study of Crown Ether on Electroless Plating Film of Gold
(Graduate School of Science, Hiroshima Univ.)*Kosuke Matsushita,Takayuki Ebata,Yoshiya Inokuchi
13:10-14:50 4P060Examination of the synthetic method of platinum nanocubes and characterization of their optical properties
(Aichi Univ. of Edu.)*Moeka Obara,Yusuke Kosaka,Kazuyuki Hino
13:10-14:50 4P061Optical properties of ZnO sub-microspheres prepared by chemical synthesis and laser ablation
(Graduate School of Advanced Science and Engineering, Waseda Univ.)*Yoshinori Suda,Yoshio Kamura,Kohei Imura
13:10-14:50 4P062Surface enhanced Raman study of adsorbates on gold nanoparticle aggregates by impulsive stimulated Raman spectroscopy
(Molecular Spectroscopy Laboratory, RIKEN, Japan1,Department of Chemistry, Saitama University, Japan2,RIKEN Center for Advanced Photonics, RIKEN, Japan3)*Pardeep Kumar1,Kazuto Hasegawa1,2,Hikaru Kuramochi1,3,Satoshi Takeuchi1,3,Tahei Tahara1,3
13:10-14:50 4P063Synthesis and clutch mechanism of luminescent dinuclear Au complex with PPh₃ rotors
(TUS1,TIT2)*Hiroki Kan1,Ryouma Tokunaga1,Syouta Akagi1,Kohei Yazaki2,Michito Yoshizawa2,Hajime Kamebuchi1,Makoto Tadokoro1
13:10-14:50 4P064Fabrication and evaluation of the light reflection layer used for the anode of the dye sensitized solar cell
(Graduate School of Science, Josai Univ.)*Takuya Inuzuka,Takumu Fujiya,Koichiro Mitsuke
13:10-14:50 4P065Synthesis of Au-Pt alloy nanoparticles by nanoprocessing under hydrothermal conditions
(Graduate School of Science, Chiba Univ.1,Graduate School of technology, Utsunomiya Univ.2)*Takuya Suzuki1,Yoshimi Itou1,Natsumi Sonoda2,Nobuo Uehara2,Takeshi Morita1
13:10-14:50 4P066Precise synthesis of novel AuPt bimetallic cluster and fabrication of its one-dimensional polymer structure
(Graduate School of Science, Tokyo University of Science1,Graduate School of Chemical Sciences and Technology, Tokyo University of Science2)*Mai Hosoi1,Sakiat Hossain1,Tasuku Ono2,Mahiro Yoshioka1,Wataru Kurashige1,Yuichi Negishi1
13:10-14:50 4P067N-doped graphene capsuled NiMo nanoparticles as an acid-stable, earth abundant catalyst for highly efficient hydrogen evolution
(Graduate School of Pure and Applied Sciences, University of Tsukuba1,Japan Science and Technology Agency, Saitama2)*Kailong Hu1,Junichi Fujita1,Yoshikazu Ito1,2

[Biomolecules]

13:10-14:50 4P068Analysis of molecular motion in trehalose glass using red-edge effect
(College of Life Science, Ritsumeikan Univ.1,JST-PRESTO2)*Chikashi Ota1,Atsushi Toyo1,Akifumi Matsumoto1,Yudai Hirata1,Yutaka Nagasawa1,2
13:10-14:50 4P069Correlation of conformation of galactosucrose derivative and degree of sweetness
(School of Science and Engineering, Meisei University)*Yoko Suzuki,Kurumi Waizumi
13:10-14:50 4P070Conformational relaxation processes in a protein studied by molecular dynamics simulation
(Yokohama City Univ.)*Sotaro Fuchigami
13:10-14:50 4P071Theoretical Study of Photoreceptor Protein by SAC-CI method
(Quantum Chemistry Research Institute)*Tomoo Miyahara,Hiroshi Nakatsuji
13:10-14:50 4P072Physical-chemical properties of highly conserved amino acids and their functions in threonyl-tRNA synthetase
(Sch. of Pharm., Kitasato Univ.1,IMS2,SOKENDAI3)*Yoshiharu Mori1,Mayuko Takeda-shitaka1,Hisashi Okumura2,3
13:10-14:50 4P073Development of high performance hybrid wave plate for super-resolution microscopy
(NTT Advanced Technology Corporation1,Kitasato University2,Budapest University of Technology and Economics3,OLYMPUS CO., LTD4)*Akira Kodaira1,Koumei Nagai1,Takashi Maruyama1,Satoshi Oku1,Hiroshi Kumagai2,Nandor Bokor3,Yoshinori Iketaki4
13:10-14:50 4P074Observation of stained liposome by super-resolution microscopy
(Olympus1,Katayama Chemical2,Kitasato Univ.3)*Yoshinori Iketaki1,3,Takayuki Otani2,Masaki Adachi2,Hiroshi Kumagai3
13:10-14:50 4P075Verification of shuttling of Light-Harvesting complexes within membrane upon light environmental change by using cryogenic confocal microscopy
(Graduate School of Science, Tohoku Univ.)*Yuki Fujita,Yutaka Shibata
13:10-14:50 4P076Development of scanning 2D-FLCS and application to structural dynamics of hairpin DNA
(Mol.spectrosc.Lab.,RIKEN1,Graduate School of Sci and tech , Saitama Univ2)*Kazuto Hasegawa1,2,Rohit Vaidya1,Kunihiko Ishii1,Tahei Tahara1
13:10-14:50 4P077Time-resolved study of the oxidative structural change of human galectin-1
(Graduate School of Pharmaceutial Sciences,Tohoku Univ.1,National Chiao Tung Univ.2)*Kunisato Kuroi1,Tsuyoshi Kurota1,Hirotsugu Hiramatsu2,Takakazu Nakabayashi1
13:10-14:50 4P078Analysis of the structure of the polyproline backbone using IR absorption of a 13C=18O doublet band
(Grad. Sch. Pharm. Sci., Tohoku Univ.1,Dept. Appl. Chem., National Chiao Tung Univ.2)*Daisuke Miyata1,Hitomi Okabe1,Hirotsugu Hiramatsu2,Takakazu Nakabayashi1

[Theory/Calculation]

13:10-14:50 4P079A theoretical study on single ionization of a hydrogen molecule in an intense light field
(School of Science, The University of Tokyo)*Takanori Nishi,Erik Loetstedt,Kaoru Yamanouchi
13:10-14:50 4P080Asynchronous-concerted reaction path of excited-state double proton transfer in a hydrogen-bonded dimer
(Graduate School of Science and Technology, Hirosaki Univ.)*Shohei Yamazaki
13:10-14:50 4P081Quantum optimal control of isotope-selective rovibrational excitations of diatomic molecules
(QST1,JAEA2)*Yuzuru Kurosaki1,Keiichi Yokoyama2
13:10-14:50 4P082An automated and efficient conformation search of L-cysteine and L,L-cystine using the scaled hypersphere search method
(Graduate School of Science, Tohoku Univ.1,Faculty of Science, Tohoku Univ.2)Naoki Kishimoto1,*Hiroki Waizumi2
13:10-14:50 4P083Theoretical study of the excite-state proton transfer in indigo and epindolidione
(Graduate School of Science and Technology, Hirosaki Univ.)*Kouta Banno,Shohei Yamazaki
13:10-14:50 4P084Non-Frank chondonic behavior appearing in photoelectron spectrum of water molecule
(Graduate School of Science, Tohoku Univ.1,University of Turku2,Universidad Autónoma de Madrid3,SOLEIL4,Tagen, Tohoku Univ.5)*Taishi Ono1,Edwin Kukk2,Jesus Vazquez3,Denys Iablonskyi5,Gianluigi Maliyar1,Kuno Kooser2,Selma Engin3,John Bozek4,Martin Fernando3,Kiyoshi Ueda5
13:10-14:50 4P085Development of a model for Coulomb explosion induced by intense XFELs : Application to I-containing molecules
(Graduate School of Science, Tohoku University1,IMRAM, Tohoku University2,Graduate School of Science, Kyoto University3,Japan Synchrotron Radiation Research Institute4,RIKEN Spring-8 Center5)*Kohei Ochiai1,Kosuke Nakamura1,Yusuke Takahashi1,Manabu Kanno1,Kaoru Yamazaki1,Tsukasa Takanashi2,Hironobu Fukuzawa2,5,Kensuke Tono4,Kiyonobu Nagaya3,5,Kiyoshi Ueda2,5,Hirohiko Kono1
13:10-14:50 4P086Theoretical analysis of bending vibrational modes of linear polyynes: the πgu combination band intensity derived from electron density motion caused by the terminal CCH bending
(Graduate School of Science and Technology, Keio Univ.1,Graduate School of Science and Engineering, Tokyo Institute of Technology2)*Masafumi Tsuyuki1,Hideto Kanamori2,Satoshi Yabushita1
13:10-14:50 4P087Path integral molecular dynamics study on Muoniated Radical.
(Graduate School of Nanobioscience, Yokohama City Univ.1,RIKEN2,Data Science Center, Yokohama City Univ.3)*Yuki Oba1,Tsutomu Kawatsu2,Masanori Tachikawa1,3
13:10-14:50 4P088Construction of quantum chemistry based on the Schroedinger solution of atom and molecules: FC theory and its application
(Quantum Chemistry Research Institute)*Yusaku Kurokawa,Hiroyuki Nakashima,Hiroshi Nakatsuji
13:10-14:50 4P089Oxidative Addition of Nitrobenzene to Palladium(0) Complex: Theoretical Analysis of Unexpected Ligand Effect
(Fukui Institute for Fundamental Chemistry, Kyoto University1,Department of Material Chemistry, Graduate School of Engineering, Kyoto University2)*Rong-lin Zhong1,Nagaoka Masahiro2,Kashihara Myuto2,Nakao Yoshiaki2,Sakaki Shigeyoshi1
13:10-14:50 4P090Theoretical study of solvent effect on the fluorescence probe of dipicolylamine
(Graduate School of Science, Sophia Univ.)*Yukako Hayashi,Takashi Hayashita,Shinkou Nanbu
13:10-14:50 4P091Two-dimensional electronic spectroscopy of a light-driven molecular rotary motor: Non-adiabatic transition and non-Condon effect
(Graduate School of Science, Kyoto Univ.1,Faculty of Mathematics and Physical Sciences, The University of Leeds2)*Tatsushi Ikeda1,Arend Dijkstra2,Yoshitaka Tanimura1
13:10-14:50 4P092Theoretical study on solvation structure of LiTFSI in high concentration aqueous electrolyte
(Graduate school of engineering, Kyoto university.1,Elements Strategy Initiative for Catalysts and Batteries, Kyoto University.2)*Yuta Tanahashi1,Kento Kasahara1,Hirofumi Sato1,2
13:10-14:50 4P093Structural changes in the trihalomethane at ultra-high pressure using the infrared absorption spectrum method and theoretical calculations
(Graduate School of science, Hiroshima Univ.1,ISSD of Hiroshima Univ.2)*Taiga Suenaga1,Osamu Takahashi2
13:10-14:50 4P094Theoretical study of correlations between proton-coupled electron transfer and magnetic coupling in organic crystals
(IMS1,RCSS2,ESICB Kyoto Univ.3,Sokendai4)*Soichi Ito1,2,3,4,Masahiro Ehara1,2,3,4
13:10-14:50 4P095New material search for perovskite photocatalyst based on first-principles calculations
(RIKEN AICS)*Keisuke Sawada,Takahito Nakajima
13:10-14:50 4P096First-Principles Molecular Dynamics Study of Interface Between Electrode and Electrolyte in All-Solid State Lithium-Ion Battery
(FujiFilm Corporation1,NIMS2,AIST3)*Okuno Yukihiro1,Yoshitaka Tateyama2,Keitaro Sodeyama2,Jun Haruyama3
13:10-14:50 4P097Theoretical study of solvent structure change induced by alternating current in MISIM photodetector
(Graduate School of Science, Nagoya University1,WPI-ITbM2)*Shota Nakataki1,Kunio Awaga1,Daisuke Yokogawa1,2
13:10-14:50 4P098Theoretical Investigation on the interaction between Rh porphyrin complex and Carbon
(Research Institute of Electrochemical Energy, AIST)*Kohei Tada,Hiroyuki Ozaki,Yasushi Maeda,Shin-ichi Yamazaki,Shingo Tanaka
13:10-14:50 4P099Computational vibrational spectroscopy for molecules adsorbed on the metal surface: a case study of aryl isocyanides
(北大院総化1,北大院理2,京大, ESICB3,NIMS, GREEN4)*Ben Wang1,Min Gao2,3,Tetsuya Taketsugu2,3,4
13:10-14:50 4P100Modeling chemical reactions through the elongation method and its acceleration via "on the fly" PES construction
(Faculty of Eng. Sci., Kyushu Univ.1,JST-CREST2)*Wataru Mizukami1,Yuriko Aoki1,2
13:10-14:50 4P101Proposal of embedded cluster model with electrostatic potential evaluated under periodic boundary condition
(ESICB, Kyoto Univ.1,FIFC, Kyoto Univ.2)*Masafuyu Matsui1,Shigeyoshi Sakaki2,1
13:10-14:50 4P102Systematic search for steam reforming routes of methane on Cu surface by automated reaction path search method
(Faculty of Science, Hokkaido Univ.1,Graduate School of Sciences and Engineering, Hokkaido Univ.2)*Kenichiro Saita1,Kanami Sugiyama2,Makito Takagi2,Yosuke Sumiya2,Satoshi Maeda1
13:10-14:50 4P103Molecular dynamics study on dynamic features for nanocube formed with gear-shaped amphiphile molecules
(Graduate School of Nanobioscience, Yokohama City Univ.1,Kyocera corporation2,Graduate School of Arts and Sciences, Tokyo Univ.3,FOCUS4)*Takako Mashiko1,2,Shuichi Hiraoka3,Umpei Nagashima4,Masanori Tachikawa1
13:10-14:50 4P104Structural and electronic properties of Cu/CeO2 and reactivity to NO
(Graduate School of Science, Hokkaido University1,Kyoto University ESICB2,NIMS-GREEN3)Takeshi Iwasa1,2,Andrey Lyalin3,*Tetsuya Taketsugu1,2,3
13:10-14:50 4P105Effects of hydrated ions on the hydrogen bond between water and water in the sodium ion-water and chloride ion-water clusters
(Faculty of Engineering, Chiba Institute of Technology1,Faculty of Science and Technology, Keio University2)*Chisa Furukawa1,Chiaki Ishibashi1,Suehiro Iwata2,Hidenori Matsuzawa1
13:10-14:50 4P106A quantum dynamics analysis of photo-excited electrons in molecular aggregated system: Effects of structure deformation and composition changes.
(RIKEN AICS)*Takehiro Yonehara,Takahito Nakajima
13:10-14:50 4P107NO-CO reaction on binary Cu32Ru6 nanocluster. A theoretical study
(Kyoto Univ. ESICB1,Institute for Molecular Science2,Kyoto Univ. FIFC3)*Nozomi Takagi1,Kazuya Ishimura2,Ryoichi Fukuda1,Masahiro Ehara1,2,Shigeyoshi Sakaki1,3
13:10-14:50 4P108Reaction path network and its kinetics analysis for Sesquiterpenes syntheses
(Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2)*Masashi Sampei1,Yosuke Sumiya1,Tomoya Ichino2,Satoshi Maeda2
13:10-14:50 4P109Path search of DNA strand breaks induced by hydroxyl radicals: Chemical reaction dynamics simulations
(Graduate School of Sience, Tohoku Univ.)*Tomohiko Okada,Keita Oikawa,Naoki Hishinuma,Kota Hanasaki,Manabu Kanno,Hirohiko Kono
13:10-14:50 4P110A molecular dynamics study on the effect of antigen - antibody interface environment on the salt - bridge stability
(Grad. Sch. of Arts and Sci., The Univ. of Tokyo1,RCAST, The Univ. of Tokyo2)*Ryo Okajima1,2,Takehumi Yamashita2
13:10-14:50 4P111Density functional study of the role of protein environment in the O2 activation of extradiol-cleaving dioxygenase in the active state.
(Nagoya Inst. Tech.1,Dept. Chem. Stanford Univ.2,Faculty of Regional Studies, Gifu Univ.3)*Yuko Wasada-tsutsui1,Kyle david Sutherlin2,Hiroaki Wasada3,Edward i. Solomon2
13:10-14:50 4P112Implementation of a QM/MM method in GENESIS and a reaction path search of enzymatic reactions
(RIKEN, Theoretical Molecular Science)*Kiyoshi Yagi,Yuji Sugita
13:10-14:50 4P113[Withdraw]
13:10-14:50 4P114Preparation of gold and silver nanoclusters produced by light irradiation and their catalytic effect
(Graduate School of Science and Engineering, Kagoshima Univ.)Aki Mihata,Akiko Kaminaga,Yasuro Niidome,*Junichi Kurawaki