第11回分子科学討論会

Poster Sessions

Saturday, September 16 (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 2P001Study on hydrogen bonds of propargyl alcohol clusters by IR spectroscopy
(Graduate School of Science, Shizuoka Univ.1,Faculty of Science, Shizuoka Univ.2)*Kenichi Kuroda1,Yoshiteru Matumoto2
13:10-14:50 2P002LIF/DF measurements for gas-phase ions under isolated condition.
(Graduate School of Material Science, University of Hyogo)*Kenji Honma
13:10-14:50 2P003Two-dimensional correlation IR spectroscopy of pyrrole-acetone binary clusters to analyze broad absorption
(Graduate School of Science, Shizuoka Univ.1,Faculty of science, Shizuoka Univ.2)*Souichi Tezuka1,Yoshiteru Matsumoto2
13:10-14:50 2P004A study of Excess electron binding to small-sized cyanamide clusters
(Graduate School of Science, Tohoku Univ.)*Toshihiko Maeyama,Asuka Fujii
13:10-14:50 2P005Infrared spectroscopy of protonated phenol-(water) clusters
(Graduate School of Science, Tohoku Univ.)*Marusu Katada,Asuka Fujii
13:10-14:50 2P006Conformational study of hydrated alkali metal complexes of partial peptide of selectivity filter in K+ channel by electrospray ionization / cold ion trap laser spectroscopy
(Tokyo Institute of Technology, Laboratory for Chemistry and Life Science)*Yuta Sasaki,Mizuki Tabata,Shun-ichi Ishiuchi,Masaaki Fujii
13:10-14:50 2P007Gas phase spectroscopy of protonated nicotine and nornicotine by using electrospray / cold ion trap technique
(LCLS, Tokyo Institute of Technology1,PNNL2)*Kazuya Tsuruta1,Shun-ichi Ishiuchi1,Sotiris Xantheas2,Masaaki Fujii1
13:10-14:50 2P008Gas-phase structural determination of 5-Bromouracil-Guanine mispairs by IR-UV double resonance spectroscopy
(Graduate School of Nanobioscience, Yokohama City University)*Ayumi Oyama,Hiroyuki Saigusa
13:10-14:50 2P009Infrared spectroscopy of phenol-ethyldimethylsilane dihydrogen-bonded cluster
(Kitasato Univ.1,Kitasato Univ.2,Shizuoka Univ.3)*Masaaki Uchida1,Takutoshi Shimizu2,Yasutoshi Kasahara1,Yoshiteru Matsumoto3,Haruki Ishikawa1
13:10-14:50 2P010Low-energy electron emissions after 2p ionization of Argon clusters by synchrotron radiation
(IMRAM, Tohoku Univ.1,RSC2,AIST3)*Li Yiwen1,2,Daehyun You1,2,Hironobu Fukuzawa1,2,Yuta Sakakibara1,2,Tsukasa Takanashi1,2,Yuta Ito1,2,Syuhei Yamada1,2,Masaki Oura2,Norio Saito2,3,Kiyoshi Ueda1,2
13:10-14:50 2P011Hard x-ray induced electron spectroscopy experiments on molecules in gas-phase at SPring-8
(Univ. of Hyogo1,Riken2,Kyoto University3)*Tatsuo Gejo1,2,Masaki Oura2,Kiyonobu Nagaya3,2,Kenji Tamasaku2
13:10-14:50 2P012Nanoplasma formation in xenon clusters irradiated by X-ray free-electron laser
(IMRAM, Tohoku Univ.1,RSC2,Kyoto Univ.3,Hiroshima Univ.4,Univ. of Turku5,Univ. of Tartu6,SOLEIL7,ELI-NP8,Goethe Univ.9,Beihang Univ.10,JASRI11,Heidelberg Univ.12)Yoshiaki Kumagai1,*Hironobu Fukuzawa1,2,Koji Motomura1,Denys Iablonskyi1,Kiyonobu Nagaya2,3,Shin-ichi Wada2,4,Yuta Ito1,Tsukasa Takanashi1,Yuta Sakakibara1,Daehyun You1,Toshiyuki Nishiyama3,Kazuki Asa3,Yuhiro Sato3,Takayuki Umemoto4,Kango Kariyazono4,Edwin Kukk5,Kuno Kooser5,6,Christophe Nicolas7,Catalin Miron7,8,Theodor Asavei8,Liviu Negau8,Markus Schoeffer9,Gregor Kastirke9,Xiao-jing Liu10,Shigeki Owada2,Tetsuo Katayama2,Tadashi Togashi11,Kensuke Tono11,Makina Yabashi2,Kirill Gokhberg12,Lorenz Cederbaum12,Alexander Kuleff12,Kiyoshi Ueda1,2
13:10-14:50 2P013Ultrafast structure change of giant xenon cluster probed by time-resolved X-ray diffraction
(Kyoto Univ.1,RSC2,IMRAM, Tohoku Univ.3,Argonne National Lab.4,Univ. of Turku5,SOLEIL6,ELI-NP7,ELETTRA8,Milano Univ.9,JASRI10)Toshiyuki Nishiyama1,2,Yoshiaki Kumagai3,Akinobu Niozu1,2,Hironobu Fukuzawa2,3,Koji Motomura3,Max Bucher4,Yuta Ito3,Tsukasa Takanashi3,Kazuki Asa1,2,Yuhiro Sato1,2,Daehyun You3,Yiwen Li3,Taishi Ono3,Edwin Kukk5,Catalin Miron6,7,Liviu Neagu7,Carlo Callegari8,Michele Fraia8,Giorgio Rossi9,Davide Galli9,Tomasso Pincelli9,Alessandro Colombo9,Shigeki Owada2,Kensuke Tono10,Tadashi Togashi10,Makina Yabashi2,Kazuhiro Matsuda1,Christoph Bostedt4,*Kiyoobu Nagaya1,2,Kiyoshi Ueda3
13:10-14:50 2P014High resolution laser spectroscopy of NO 2 radical in the region of 595-685 nm
(Kobe Univ.1,Kyoto Univ.2)*Shunji Kasahara1,Michihiro Hirata1,Takumi Yoshizawa1,Shoya Ueda1,Kohei Tada2

[Liquid phase]

13:10-14:50 2P015Evaluation of a picosecond time-resolved Raman spectrometer with a femtosecond light source
(Faculty of Science, Gakushuin University)*Tsukasa Tokita,Tomohisa Takaya,Koichi Iwata
13:10-14:50 2P016Interactions between the europium ion and organic molecules in liquid phase
(Graduate School of Science, Kyushu Univ.)*Hitoshi Ouchi,Kazuhiko Ohashi
13:10-14:50 2P017Raman spectroscopic study on absorption state of CO2 molecules in imidazolium-based ionic liquids, 1-ethyl-3-methylimidazolium tetrafluoroborate and 1-butyl-3- methylimidazolium bis(trifluoromethylsulfonyl)imide
(Graduate School of Science, Chiba Univ.1,Natural and Environmental Sciences, Teikyo University of Science2)*Sakitada Suzuki1,Keiko Nishikawa1,Hideyuki Nakayama2,Takeshi Morita1
13:10-14:50 2P018Intermolecular interaction and volume change by hydrophobic hydration in alkyne aqueous solution
(chiba institute of technology1,Graduate School of Life Science, Ritsumeikan Univ.2)*Satoshi Shibuta1,Hiroshi Imamura2
13:10-14:50 2P019Quantitative observation of liquid-liquid mixing process in a micro-reactor by micro-Raman imaging
(College of Science and Engineering, Aoyama Gakuin Univ.)*Hajime Okajima,Shiori Yamada,Shinma Mochizuki,Akira Sakamoto
13:10-14:50 2P020Structural analysis of radical anions of anthracene derivatives by in situ Raman spectroelectrochemistry
(Graduate School of Science and Engineering, Aoyama Gakuin Univ.)*Isshu Gomita,Hajime Okajima,Akira Sakamoto
13:10-14:50 2P021Photoionization process of trans-stilbene in solution observed with femtosecond time-resolved near-IR spectroscopy
(Faculty of Science, Gakushuin University)*Mizuho Kajita,Tomohisa Takaya,Koichi Iwata
13:10-14:50 2P022Absorption intensity and frequency of fundamental and overtone of OH stretching vibration of 2-propanol - pyridinehydorogen-bonding complex
(NIT, Kumamoto College)*Shinpei Teramoto,Junya Matsuda,Yoshisuke Futami
13:10-14:50 2P023Near-infrared spectra of OH-stretching firast overtone region of Water - ethanol - glucose ternary system solution
(NIT,Kumamoto college)*Junya Matsuda,Shinpei Teramoto,Yoshisuke Futami
13:10-14:50 2P024Hydrophobicity/hydrophilicity of cations of various ionic liquid and its effect on molecular organization of water in aqueous solution
(Graduate School of Advanced Integration Science Chiba Univ.1,UBC2)*Kazuki Yonenaga1,Ayako Nitta1,Keiko Nishikawa1,Yoshikata Koga2,Takeshi Morita1

[Solid phase]

13:10-14:50 2P025Photoelectric cells utilizing an organic ferroelectric layer
(Graduate School of Science, Nagoya Univ.)*Seiya Yokokura,Michio Matsushita,Kunio Awaga
13:10-14:50 2P026Electroluminescence of carbazole-triazine derivative, DACT-II
(Graduate School of Engineering, Kyoto Univ.1,ESICB, Kyoto Univ.2,Inst. Chem. Res., Kyoto Univ.3)*Shuntaro Kochi1,Tohru Sato1,2,Hironori Kaji3
13:10-14:50 2P027Magnetic properties of Ce multiple-decker complexes
(Faculty of science, Tohoku Univ.1,AIMR, Tohoku Univ.2)*Takahiro Takahashi1,Keiichi Katoh1,Masahiro Yamashita2
13:10-14:50 2P028Analysis of proton conduction mechanism of imidazolium decyldiphosphonate crystal
(Graduate School of Natural Science & Technology, Kanazawa Univ.1,Science & Technology,Kanazawa Univ2,Institute for Frontier Science Initiative, Kanazawa Univ3)*Ryota Une1,Hiroki Fuwa2,Shogo Amemori3,Tomonori Ida1,Motohiro Mizuno3,1
13:10-14:50 2P029Crystal Structures and Phase Transition Behaviors of Host-Guest Complexes based on Pillar[n]arenes
(Graduate School of Science, TOHOKU Univ.1,IMRAM, TOHOKU Univ.2,Graduate School of Natural Science and Technology, KANAZAWA Univ.3)*Yu Aoyama1,Takashi Takeda2,Norihisa Hoshino2,Yasuo Shimada3,Shigehisa Akine3,Tomoki Ogoshi3,Tomoyuki Akutagawa2
13:10-14:50 2P030Temperature denpendence of exciton relaxation dynamics in amorphous tetraphenyldibenzoperiflanthene thin films
(Graduate School of Science, Kyoto Univ.1,JST PRESTO2)*Kazuto Yamada1,Kazuya Watanabe1,Toshiki Sugimoto1,2,Yoshiyasu Matsumoto1
13:10-14:50 2P031Charge transfer complexes including TTF and Chloranil
(Graduate School of Chemial Science and Engineering, Hokkaido University1,Faculty of Science, Hokkaido University2)*Eri Tanaka1,Mika Takehisa1,Yukihiro Takahashi1,2,Jun Harada1,2,Tamotsu Inabe1,2
13:10-14:50 2P032Structure of isothiocyanate complex of Co(Ⅱ) linked by hydrogen bond with hexamethylenetetramine
(Faculty of Science, Yamguchi Univ.1,Graduate School of Sciences and Technology for Innovation, Yamaguchi Univ.2)*Hagino Morita1,Ryo Tsunashima2
13:10-14:50 2P033Relaxation of Exciton-polariton in High Q-factor Organic Microcavity
(Graduate School of Materials Science, NAIST)*Hideyuki Mizuno,Hiroyuki Katsuki
13:10-14:50 2P034Development of wide-field femtosecond transient absorption microscopy with a spatial phase modulator and application to perovskite systems
(Kwansei Gakuin Univ.)*Tetsuro Katayama,Harunobu Suenaga,Tomoki Okuhata,Naoto Tamai
13:10-14:50 2P035Dielectric properties of crystal, SmE liquid crystal and liquid phases of nTCB measured by terahertz time-domain spectroscopy
(Department of Chemistry, University of Tsukuba)*Hideyasu Chiku,Mafumi Hishida,Yasuhisa Yamamura,Kazuya Saito
13:10-14:50 2P036Synthesis and physical properties on biimidazolate dinuclear metal complexes bridged by two Ag+ ions
(TUS)*Yuki Tsuruoka,Shohei Harada,Takumi Matsuno,Kazuo Isogai,Hajime Kamebuchi,Makoto Tadokoro
13:10-14:50 2P037Ultra-broadband Vis-NIR femtosecond transient absorption spectroscopy of CH3NH3PbI3 perovskite thin films
(Molecular Spectroscopy Laboratory, RIKEN1,Department of Chemistry, The University of Tokyo2,RIKEN Center for Advanced Photonics, RIKEN3,Department of Applied Chemistry, National Chiao Tung University4)*Chun-fu Chang1,2,Hikaru Kuramochi1,3,Satoshi Takeuchi1,3,Tatsuya Tsukuda2,Eric wei-guang Diau4,Tahei Tahara1,3
13:10-14:50 2P038Structure and properties of TTF and BEDT-TTF salts of PO-CONCH(SO3-)-R(R = CH2CH3,cyclopropane)
(Graduate School of Science, Osaka Univ.)*Akiko Kouno,Hiroki Akutsu,Yasuhiro Nakazawa
13:10-14:50 2P039Negative differential resistance in the Peierls insulating phases of TTF-TCNQ
(Graduate School of Science, Nagoya Univ.1,Research Center for Materials Science, Nagoya Univ.2)*Daiki Tonouchi1,Michio Matsushita1,Kunio Awaga1,2
13:10-14:50 2P040Charge carrier dynamics in bulk heterojunction organic semiconductor by optical-pump terahertz-probe spectroscopy
(Graduate School of Science, Kobe Univ.1,Molecular Photoscience Research Center, Kobe Univ.2,NAIST3)*Yuichi Hiramatsu1,Kaoru Ohta1,2,Kotarou Takahashi3,Hiroko Yamada3,Keisuke Tominaga1,2
13:10-14:50 2P041Development of organic ionic ferroelectric crystals
(Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2)*Naho Yoneyama1,Seiya Yokokura2,Jun Harada1,2,Yukihiro Takahashi1,2,Tamotsu Inabe1,2
13:10-14:50 2P042Infrared spectrum of acenaphthene in the T1 state
(Graduate School of BASE)*Takehiro Kumakura,Nobuyuki Akai,Munetaka Nakata

[Surface/Interface]

13:10-14:50 2P043Heterodyne-detected vibrational sum frequency generation spectroscopy for buried electrode/electrolyte solution interfaces
(RIKEN1,RAP2,School of Science, Tokyo Tech.3)*Satoshi Nihonyanagi1,2,Atsushi Sayama1,3,Yasuhiro Ohshima3,Tahei Tahara1,2
13:10-14:50 2P044Construction of an ultrabroadband multiplex CARS spectrometer for total internal reflection measurement
(Graduate School of Pure and Applied Sciences, Tsukuba Univ.)*Masayuki Ishikawa,Masanari Okuno,Taka-aki Ishibashi
13:10-14:50 2P045Development of hyper-Raman microspectroscopic system using a tunable picosecond laser source and its application to TiO2 Ⅲ
(Pure and applied Sciences, University of Tsukuba)*Yoshiharu Yamada,Hideaki Kano
13:10-14:50 2P046Atom-scale structure of TiO2(110) surface immersed in aqueous solution: FM-AFM imaging
(Graduate School of Science, Kobe Univ.)*Shengkai Xue,Akira Sasahara,Hiroshi Oni
13:10-14:50 2P047Theoretical study of the interface between CH3NH3PbI3 / TiO2
(RCAST, Univ. of Tokyo1,Graduate School of Arts and Sciences, Univ of Tokyo2)*Ryota Jono1,Hiroshi Segawa2,1
13:10-14:50 2P048Potential-dependent local structure and dynamics of interfacial ionic liquids on fullerene electrode analyzed by molecular dynamics simulation
(Graduate School of Engineering Science, Osaka Univ.1,Graduate School of Engineering, Osaka Univ.2)*Taiki Sato1,Hiroo Miyamoto1,Ichiro Tanabe1,Koji Inagaki2,Yoshitada Morikawa2,Ken-ichi Fukui1
13:10-14:50 2P049Hydrogen-bonded networks of planar diamide molecules on graphite (0001). Preparation and characterization
(Grad. Sch. Engin., Tokyo Univ. Agric. & Technol.)*Makito Nakagawa,Hibiki Yanagisawa,Hayato Sanada,Hiroyuki Ozaki,Osamu Endo,Yuki Fujii,Shunya Yamazaki

[Clusters/particles/nanostructures]

13:10-14:50 2P050A change in intramolecular vibrations of N-methylformamide on the interaction with the Co(Ⅱ) ion
(Kyushu University)*Hayato Takeshita,Nobtaka Hikishi,Kazuhiko Ohasi
13:10-14:50 2P051Vibrational spectra of formamide solutions of Co2+ revisited
(Kyushu Univ.)Nobutaka Hikiishi,Hayato Takeshita,*Kazuhiko Ohashi
13:10-14:50 2P052Collisional reaction of droplets observed by atmospheric IR-laser ablation mass-spectrometry
(Graduate School of Science, Gakushuin Univ)*Daihi Kanayama,Masahiro Seki,Hiroya Asami,Jun-ya Kohno
13:10-14:50 2P053Formation of He cluster – Co cluster complexes and their infrared photodissociation spectroscopy
(Genesis Res. Inst.1,Toyota Tech. Inst.2)*Hideho Odaka1,Masahiko Ichihashi2
13:10-14:50 2P054Geometry control of uni-size platinum clusters bound to substrate by cluster impact and their thermal stability
(Genesis Res. Inst.,Inc.1,Toyota tech.Inst.2)*Nobuyuki Fukui1,Hisato Yasumatsu2
13:10-14:50 2P055Attempt to produce dimetallofullerenes encapsulating Yb
(Department of Chemistry, Tokyo Metropolitan Univ.)*Kazuhiro Kobayashi,Koichi Kikuchi,Yohji Achiba,Takeshi Kodama
13:10-14:50 2P056Effect of ligand field on photoluminescence of organoeuropium(II) sandwich clusters
(Graduate School of Science and Technology, Keio Univ.1,KiPAS2)*Kanako Abe1,Hironori Tunoyama1,Atsushi Nakajima1,2
13:10-14:50 2P057Elucidation of the heteroatom-doping effects on Au-cluster co-catalysts for water-splitting photocatalytic activity
(Graduate School of Science and Technology, Tokyo University of Science1,Graduate School of Science, Tokyo University of Science2)*Shun Yoshino1,Wataru Kurashige2,Rui Hayashi2,Tomoaki Takayama2,Akihide Iwase2,Akihiko Kudo2,Yuichi Negishi2
13:10-14:50 2P058Reduction of nitrogen species on palladium surfaces
(Graduate School of Science and Engineering1,National institute of Advanced Industrial Science and Technology2)*Junichi Murakami1,Kyoko Bando2,Yukihiro Shimoi2,Masayuki Futamata1
13:10-14:50 2P059Steric Structures and Proton Transfer Reactions of Insulin Ions and Insulin Chain B Ions
(Yokohama City University)*Yuu Usui,Hayato Sasaoka,Hoshiyuri Oji,Ryo Ishii,Shinji Nonose
13:10-14:50 2P060High resolution separation and evaluation of gold and alloy clusters protected by hydrophilic ligands using LC/MS
(Graduate School of Chemical Sciences and Technology. Tokyo Univ. of Sci.1,Graduate School of Science. Tokyo Univ. of Sci.2)*Daisuke Shima1,Kana Yoshida1,Yoshiki Niihori1,Yuichi Negishi2
13:10-14:50 2P061Metastable interface of colliding liquid droplet studied by resonance enhanced stimulated Raman scattering
(Graduate School of Science, Gakushuin Univ.)*Kosuke Negishi,Jun-ya Kohno
13:10-14:50 2P062In-source collision-induced dissociation of ligand-protected metal clusters
(School of Science, the Univ. of Tokyo1,ESICB, Kyoto Univ.2)*Ryohei Tomihara1,Shinjiro Takano1,Seiji Yamazoe1,2,Kiichirou Koyasu1,2,Tatsuya Tsukuda1,2
13:10-14:50 2P063Emission switching of octanuclear gold clusters with aggregation
(Graduate School of Env. Sci., Hokkaido Univ.)*Mizuho Sugiuchi,Yukatsu Shichibu,Katsuaki Konishi
13:10-14:50 2P064Synthesis and evaluation of structural isomer of thiolate-protected gold cluster
(Sch. of Sci., The Univ. of Tokyo1,ESICB, Kyoto Univ.2,CREST, JST3)*Tsubasa Omoda1,Shinjirou Takano1,Seiji Yamazoe1,2,3,Kiichirou Koyasu1,2,Tatsuya Tsukuda1,2
13:10-14:50 2P065Theoretical study of hydrogen storage in a truncated triangular pyramid molecule consisting of pyridine rings
(Graduate School of Science, Tokai Univ.)*Tetsushi Nemoto,Shigeru Ishikawa
13:10-14:50 2P066Spectroscopic studies of dimetallofullerene anion encapsulating Nd
(Department of Chemistry, Tokyo Metropolitan Univ.1,Center for Coordination of Research Facilities, Niigata Univ.2,Graduate School of Human and Environmental Studies, Kyoto Univ.3,Institute for Liberal Arts and Sciences, Kyoto Univ.4)*Shinya Nishimoto1,Ko Furukawa2,Tatsuhisa Kato3,4,Koichi Kikuchi1,Yohji Achiba1,Takeshi Kodama1
13:10-14:50 2P067Preparation of various perovskite nanoparticles with different quantum confinement and their exciton dynamics
(Graduate School of Science and Engineering, Kwansei Gakuin Univ.)*Harunobu Suenaga,Takuya Sukeyoshi,Tomoki Okuhata,Tetsuro Katayama,Naoto Tamai

[Biomolecules]

13:10-14:50 2P068Structural change and emission property of the chromophore of the fluorescent protein rb-Akane
(Kitasato Univ.1,Kitasato Univ.2)*Takahiro Miyanaga1,Yasutoshi Kasahara2,Haruki Ishikawa2
13:10-14:50 2P069Hydrogen bond networks within the hydration shell around glucose and trehalose
(Graduate School of Science, Hiroshima Univ.1,QuLiS, Hiroshima Univ.2)*Dai Akase1,2,Taiki Yoshikawa1,2,Misako Aida1,2
13:10-14:50 2P070An integral equation theory for lipid membrane
(Graduate School of Engineering,Kyoto University)*Tomoaki Yagi,Hirofumi Sato
13:10-14:50 2P071Molecular Dynamics Studies on Interaction of Anti-Freeze Protein (AFP) with Water Molecules.
(Graduate School of Pure and Applied sciences,University of Tsukuba1,Center for computational Sciences,University of Tsukuba2)*Masato Kimatsuka1,Yasuteru Shigeta2,Mitsuo Shoji2
13:10-14:50 2P072Theoretical study on the influence of water transfer inside thrombin molecular interior cavity on substrate-association rate
(Graduate School of Informatics, Nagoya Univ.1,JST-CREST2)*Ikuo Kurisaki1,2,Masataka Nagaoka1,2
13:10-14:50 2P073Theoretical molecular dynamics simulation of the DIF-1 receptor activation
(Graduate School of Science and Technology, Sophia Univ)*Tenryu Kyo,Tamao Saito,Shinkoh Nanbu
13:10-14:50 2P074Orientation-sensitive IR imaging of feather β-keratins by a VSFG-detected IR super-resolution micro-spectroscopy -Polarization dependency measurements-
(Faculty of Science, Okayama Univ. of Sci.1,Labo. of Chem. & Life Sci., Tokyo Tech.2)*Hirona Takahashi1,Kota Yamamoto1,Kimura Yuya1,Yukihisa Watase2,Masaaki Fujii2,Makoto Sakai1
13:10-14:50 2P075Construction of a total internal reflection (TIR) Raman/Fluorescence microscope to observe molecular dynamics in a living cell membrane
(Tohoku Univ.1,Tohoku Univ.2)*Futaba Sumitani1,Shinji Kajimoto1,2,Takakazu Nakabayashi1,2
13:10-14:50 2P076Photochemistry of BLUF Photoreceptor Domain : Source of Slow Absorption Change
(Graduate School of Science, Kyoto Univ.)*Morihiko Onose,Yusuke Nakasone,Kosei Shibata,Masahide Terazima
13:10-14:50 2P077Ion-dependent structural changes in light-driven sodium ion pump KR2
(Graduate School of Science, Osaka Univ.1,Graduate School of Engineering, Nagoya Inst. Tech.2)*Akihiro Otomo1,Misao Mizuno1,Keiichi Inoue2,Hideki Kandori2,Yasuhisa Mizutani1
13:10-14:50 2P078Effects of environment surrounding protein on the chromophore structure of a light-driven proton pump TR
(Graduate School of Science, Osaka University1,Graduate School of Med. Dent. and Pharm. Sci., Okayama Univ.2)*Tomomi Shionoya1,Misao Mizuno1,Takashi Tsukamoto2,Yuki Sudo2,Yasuhisa Mizutani1

[Theory/Calculation]

13:10-14:50 2P079Theoretical analysis of the mechanism of the positron binding and pair annihilation to benzene derivatives
(Graduate School of Nanobioscience, Yokohama City Univ.1,Data Science Center, Yokohama City Univ.2)*Kuniaki Ono1,Yukiumi Kita1,Masanori Tachikawa1,2
13:10-14:50 2P080Theoretical study on open-shell, asymmetricity and nonlinear optical properties of pyridinium N-phenoxide betain
(Grad. Sch. of Eng. Sci., Osaka Univ.1,Grad. Sch. of Eng., Kyoto Univ.2)*Koki Watanabe1,Hiroshi Matsui1,Ryohei Kishi1,Akihiro Shimizu2,Jun-ichi Yoshida2,Masayoshi Nakano1
13:10-14:50 2P081Development of backflow correlation factor toward accurate anharmonic vibrational state analyseselopment of backflow correlation factor toward accurate anharmonic vibrational state analyses
(Graduate School of Nanobioscience, Yokohama City Univ.1,Data Science Center, Yokohama City Univ.2)*Kiriko Ishii1,Masanori Tachikawa1,2,Yukiumi Kita1
13:10-14:50 2P082Theoretical Study on Rhodium-Catalyzed Hydrosilylation of C=C and C=O Double Bonds
(CSE, Hokkaido Univ.1,ICAT, Hokkaido Univ.2,IMCE, Kyushu Univ.3)*Liming Zhao1,Naoki Nakatani2,Hideo Nagashima3,Jun-ya Hasegawa2
13:10-14:50 2P083Theoretical study on open-shell character and second hyperpolarizabilities in antiaromatic porphyrin dimers
(Graduate School of Engineering Science, Osaka Univ.)*Jun-ya Fujiyoshi,Takanori Nagami,Hiroshi Matsui,Ryohei Kishi,Masayoshi Nakano
13:10-14:50 2P084Incorporating physical properties into geometry optimization
(Graduate School of Chemical Sciences and Engineering1,Institute for Catalysis, Hokkaidou Univ2)*Iori Harada1,Jun-ya Hasegawa2,Akira Nakayama2
13:10-14:50 2P085Theoretical study on asymmetric Mannich reaction by 1,2,3,4,5-pentacarboxycyclopentadiene (PCCP).
(IMCE, Kyushu Univ.1,Faculty of Engineering, Fukuoka Institute of Technology2)*Masashi Saito1,Takashi Kamachi2,Kazunari Yoshizawa1
13:10-14:50 2P086Theoretical study on the two-photon absorption properties and structural relaxation of excited states of cycloparaphenylenes
(Graduate School of Engineering Science, Osaka Univ.1,Institute for Chemical Research, Kyoto Univ.2)*Yusuke Nishigaki1,Ryohei Kishi1,Hiroshi Matsui1,Takanori Nagami1,Masaki Yamane1,Eiichi Kayahara2,Shigeru Yamago2,Masayoshi Nakano1
13:10-14:50 2P087A prototyping environment for electronic structure calculations: Implementation of CSF based CASSCF modules
(ISEE, Kyushu Univ.1,CREST-JST2,no affiliation3)*Hiroaki Honda1,2,Takeshi Noro3
13:10-14:50 2P088Theoretical study of hydrogen bonds by local physical quantities of quantum electrodynamics
(Graduate School of Engineering, Kyoto Univ.)*Keito Ito,Masato Senami
13:10-14:50 2P089Implementation of PME-ONIOM for PIMD
(Graduate School of Nanobioscience, Yokohama City Univ1,Graduate School of Science, Sophia Univ.2,Data Science Center, Yokohama City Univ.3)*Osamu Kobayashi1,Shinkoh Nanbu2,Masanori Tachikawa1,3
13:10-14:50 2P090extended-Spin-Component-Scaled approximation for electron propagator method
(Graduate School of Natural Science & Technology, Kanazawa Univ.1,Institute for Materials Chemistry and Engineering, Kyushu Univ.2,Institute for Frontier Science Initiative, Kanazawa Univ.3)*Fang-han Lim1,Manami Nishida1,Yuta Hori2,Tomonori Ida1,Motohiro Mizuno1,3
13:10-14:50 2P091Theoretical Study of the quantum yield of Bis-Phosphoryl-Bridged Stilbene and Bis-Phosphanyl-Bridged Stilbene
(Graduate School of Science, Nagoya University1,WPI-ITbM2)*Naoto Inai1,Aiko Fukazawa1,Shigehiro Yamaguchi1,2,Daisuke Yokogawa1,2
13:10-14:50 2P092Development of harmonic solvation model method in rigid body approximation
(Advanced Science and Engineering, Waseda Univ.1,NSSMC2,RISE, Waseda Univ.3,JST-CREST4,ESICB, Kyoto Univ.5)*Moto Tarumi1,2,Hiromi Nakai1,3,4,5
13:10-14:50 2P093Free energy component analysis for molecular design
(Department of Chemistry, Osaka Prefecture University1,The Research Institute for Molecular Electronic Devices2)*Toshio Asada1,2,Shiro Koseki1,2
13:10-14:50 2P094Theoretical study of charge-transfer excited state of metal-metal multiple bonded complex
(FIFC, Kyoto Univ.1,Dept. Chemistry, TMU2)*Masayuki Nakagaki1,Naoki Nakatani2,Shigeyoshi Sakaki1
13:10-14:50 2P095Quantum master equation approach to singlet fission dynamics of molecular aggregates
(Graduate School of Engineering Science, Osaka University1,Institute for Molecualr Science2,Graduate School of Science, Osaka University3)*Maasyoshi Nakano1,Takanori Nagami2,1,Kenichiro Watanabe1,Masaki Yamane1,Soichi Ito2,Ryohei Kishi1,Takashi Kubo3
13:10-14:50 2P096Elucidation of selective polymerization mechanism in metallocene catalyst and efficient calculations for analyzing the properties of producted polymers
(Kyushu Univ1,JST-CREST2)*Satoru Shirane1,Yuuichi Orimoto1,Yuriko Aoki1,2
13:10-14:50 2P097Theoretical study of the relation between the Lorentz force density and the tension density on electric conduction
(Department of Micro Engineering, Kyoto University)*Kazuma Tsukishima,Masato Senami
13:10-14:50 2P098Photo-Deactivation of a Type of Pt emitters
(Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto 606-8103, Japan1,School of Chemical Engineering&Technology, China University of Mining and Technology2)*Xue-feng Ren1,2,Keiji Morokuma1
13:10-14:50 2P099Theoretical study on formation mechanism of cathode electrolyte interphase in lithium ion batteries
(Department of Chemistry, Osaka Prefecture University1,Graduate School of Informatics, Nagoya University2,Elements Strategy Initiative for Catalysts and Batteries3,The Research Institute for Molecular Electronic Devices4,Core Research for Evolutional Science and Technology5)*Takuya Nishikawa1,Norio Takenaka2,3,Yuichi Suzuki2,Takuya Fujie2,Miki Kanamaru1,Toshio Asada1,4,Shiro Koseki1,4,Masataka Nagaoka2,3,5
13:10-14:50 2P100Theoretical Study on the Oxidation of Primary Alcohol by Iridium Dimer Complexes
(Graduate School of Materials Science, NAIST1,Graduate School of Science and Engineering, Kindai Univ.2,Institute for Research Initiatives, NAIST3,JST PRESTO4)*Mirei Segawa1,Hidetaka Nakai2,Tomonari Wakabayashi2,Miho Hatanaka1,3,4
13:10-14:50 2P101Molecular dynamics simulation study of self-organization process of carbazole dendrimers
(RIKEN AICS1,Toyo Univ.2,Tokyo Metropolitan Univ.3)*Michio Katouda1,Motomichi Tashiro2,Yutaka Imamura3
13:10-14:50 2P102Theoretical Study of Hydrogen and Water Clusters
(Nagasaki Nishi High School1,Faculty of Regional Studies, Gifu Univ.2,Faculty of Engineering Science, Keio Univ.3)*Haruto Saito1,Masato Yukino1,Yoshinobu Gondoh1,Tomohiro Hashimoto2,Suehiro Iwata3
13:10-14:50 2P103Theoretical analysis on Cl・ + (H2O)n → HCl + OH・(H2O)n-1(n=1-3) reactions including nuclear quantum effect
(Gifu Univ.1,Yokohama city Univ.2)*Keita Sugiura1,Masanori Tachikawa2,Taro Udagawa1
13:10-14:50 2P104Theoretical analysis on hydrogen transfer reaction in HOSO· + NO2 + (H2O)n (n = 0-2) using multicomponent QM method
(Gifu Univ.1,Yokohama city Univ.2)*Hideya Sugimoto1,Masanori Tachikawa2,Taro Udagawa1
13:10-14:50 2P105Theoretical study on the inelastic electron tunnelling mediated by molecular wire
(Nippon Steel & Sumitomo Metal Corporation)*Yoichi Matsuzaki
13:10-14:50 2P106Reaction surfaces for the multiple proton transfer reactions in various hydrogen bond network
(Graduate School of Engineering, Nagoya Inst. of Tech.)*Daisuke Shimizu,Norihiro Shida
13:10-14:50 2P107Understanding segregation behavior and electronic structures in 55 and 147-atom bimetallic TcPt and RePt nanoclusters: a first-principles study
(Fukui Institute for Fundamental Chemistry, Kyoto Univ.1,Institutes for Molecular Science2)*Jing Lu1,Kazuya Ishimura2,Shigeyoshi Sakaki1
13:10-14:50 2P108Study on parallel speeding up of quantum chemistry calculation program
(Graduate School of Environment Engineering, Kitakyusyu Univ.1,Environment Engineering, Kitakyusyu Univ.2)*Yasuo Takara1,Atsushi Nogami2
13:10-14:50 2P109Study of water oxidation by Co1Au2 complex
(Graduate School of Science, Osaka Univ.)*Nayuta Suzuki,Nobuto Yoshinari,Takumi Konno,Mitsutaka Okumura
13:10-14:50 2P110Theoretical study for the reaction mechanism of hydration and substitution with the DNA purine bases (G and A) of trans-platinum analogues
(Graduate School of Science and Technology, Gunma University)*Futaba Kawahata,Takako Kudo
13:10-14:50 2P111The potential energy surfaces and the reaction paths of the multiple proton transfers in the electronic excited states of the DNA base pairs
(Graduate School of Engineering, Nagoya Inst. of Tech.)*Tsugutake Kato,Norihiro Shida
13:10-14:50 2P112Molecular simulation study on the one-way transport performance of cytoplasmic dynein
(Grad. Sch. of Sci., Kyoto Univ.)*Shintaroh Kubo,Shoji Takada
13:10-14:50 2P113Structural QM/MM Investigation of Billin Reductase PcyA-substrate complex.
(Guraduate School of Science and Engineering, Ibaraki Univ.1,King Mongkut's Institute of Technology Ladkrabang2,College of Science, Ibaraki Univ.3)*Eri Iijima1,Paul Gleeson2,Masaki Unno1,Seiji Mori3
13:10-14:50 2P114Computation of linear response function reflecting molecular structure
(Graduate School of Science, Osaka Univ.)*Jinta Ohnari,Tomohiro Maruyama,Yuki Mitsuta,Takasi Kawakami,Sysuke Yamanaka,Mitsutaka Okumura