Sunday, September 20 (13:20 - 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
| 13:20-14:50 | 2P001 | Development of cryogenic photodissociation spectrometer and application to radical ions of molecular clusters (Graduate School of Advanced Science and Engineering, Hiroshima University) *Masahiro Koyama, Jidai Iriguchi, Yasuaki Hirokawa, Akihito Matsuyama, Satoru Muramatsu, Yoshiya Inokuchi |
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| 13:20-14:50 | 2P002 | Cooled ion trap and infrared spectroscopy of protonated nicotine analogues (School of Science, Tokyo University of Science1,Laboratory for Chemistry and Life Science, Tokyo Institute of Technology2,School of Science, Tokyo Institute of Technology3,Graduate School of Science, Tokyo Institute of Technology4,School of Life Science and Technology, Tokyo Institute of Technology5) *Yuika Okura1,2, Keisuke Hirata2,3, Shun-ichi Ishiuchi2,3, Koichi Tsukiyama4, Masaaki Fujii2,5 |
| 13:20-14:50 | 2P003 | Development of the apparatus for ion-molecule reaction with controlled quantum states and collision energy in the gas phase (Hiroshima Univ., Graduate school of Advanced Science and Engineering) *Keigo Nakayama, Tatsuto Mochizuki, Katsuyoshi Yamasaki, Hiroshi Kohguchi |
| 13:20-14:50 | 2P004 | H2 adsorption dynamics on interstellar water ice: MD simulations including nuclear quantum effects (Graduate School of Science and Engineering, Saitama Univ.) *Kanon Ogino, Yu Hashimoto, Tatsuhiro Murakami, Toshiyuki Takayanagi |
| 13:20-14:50 | 2P005 | Transverse momentum distributions of tunneling electrons from Ar and H2 in circularly polarized intense laser fields (Grad. Sch. Science, Nagoya U1,RCMS, Nagoya U2) *Daimu Ikeya1, Akitaka Matsuda1, Mizuho Fushitani1, Akiyoshi Hishikawa1,2 |
| 13:20-14:50 | 2P006 | [Withdraw] |
| 13:20-14:50 | 2P007 | Asymmetric dissociative ionization of NO2 in phase-locked two-color intense laser fields (Grad. Sc. Sci, Nagoya U1,RCMS, Nagoya U2) *Yuki Ono1, Hiroka Hasegawa1, Akitaka Matsuda1, Akiyoshi Hishikawa1,2 |
| 13:20-14:50 | 2P008 | Development of gas-phase isolation systems for short-lived chemical intermediates in solution and their gas-phase spectroscopy (Department of Chemistry, Graduate School of Advanced Science and Engineering, Hiroshima Univ.) *Saya Kanazawa, Shiori Machida, Motoki Kida, Satoru Muramatsu, Yoshiya Inokuchi |
| 13:20-14:50 | 2P009 | Cold gas-phase spectroscopy of chemical intermediates produced by the mixing of reactant solutions (Department of Chemistry, Graduate School of Advanced Science and Engineering, Hiroshima Univ.) *Shiori Machida, Saya Kanazawa, Satoru Muramatsu, Yoshiya Inokuchi |
| 13:20-14:50 | 2P010 | Binding energy and R2PI spectra of the benzene-CO cluster (Graduate School of Science, Tokyo Tech) *Yuki Kutsuzawa, Masaaki Nakamura, Yasuhiro Ohshima |
| 13:20-14:50 | 2P011 | Design of highly-sensitive multichannel electron spectrometer for studying electron and atomic motions in molecules (School of Science, Tokyo Tech.1,IMRAM, Tohoku Univ.2) Akane Kurosu1, Hana Konishi1, Tatsushi Hasegawa1, Masahiko Takahashi2, *Masakazu Yamazaki1, Yasuhiro Ohshima1 |
| 13:20-14:50 | 2P012 | Creation of a rotational wave packet of tert-Butyl Bromide by an intense laser field (Graduate School of Arts and Sciences, The Univ. of Tokyo.1,Komaba Institute for Science, The Univ. of Tokyo.2) *Kenta Nakamura1, Shinichi Fukahori1,2, Hirokazu Hasegawa1,2 |
| 13:20-14:50 | 2P013 | Reversal of traditional assignment for anti- or gauche-1,2 diphenyletane (Graduate School of callege of engineering,Nihon Univ.1,Callege of engineering,Nihon Univ.2) *Kohei Chiba1, Katsuhiko Okuyama2 |
| 13:20-14:50 | 2P014 | Proton Transfer Reaction of Lysozyme Ions (Yokohama City Univ.) *Soju Tomiyama, Hiroto Ohta, Satohumi Tago, Shinji Nonose |
| 13:20-14:50 | 2P015 | Brownian motion of microparticles in 2-Propanol and di-ol aqueous solutions (National Institute of Technology, Ariake College1,College of Humanities and Sciences, Nihon Univ.2) *Kazuki Furukawa1, Ken Judai2 |
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| 13:20-14:50 | 2P016 | Attempt for local viscosity measurement of chocolate with picosecond time-resolved fluorescence microspectrometer (Faculty of Science, Gakushuin Univ.) *Ryohei Watanabe, Koichi Iwata |
| 13:20-14:50 | 2P017 | Formation and Behavior of Amphiphilic Cyanine Dye J-aggregates in Reverse Micelles (Graduate School of Science, Osaka Metropolitan University1,Graduate School of Science, Osaka City University2) *Aoi Sato1, Mio Harada2, Shunsuke Yamamoto2, Tomoyuki Yatsuhashi1, Kenji Sakota1 |
| 13:20-14:50 | 2P018 | Relaxation dynamics of uracil derivatives in water studied using ultrafast photoemission spectroscopy (Graduate School of Science, Kyoto Univ.) *Natsumi Orimo, Yo-ichi Yamamoto, Toshinori Suzuki |
| 13:20-14:50 | 2P019 | Time Correlation Function Simulation of Dynamic Light Scattering: Effects of Finite Measurement Time (Nihon University, College of Humanities and Sciences) *Hinako Terauchi, Ken Judai |
| 13:20-14:50 | 2P020 | Development of a highly sensitive detection method for circular dichroism (Graduate School of Science, Osaka City University1,Graduate School of Science, Osaka Metropolitan University2) *Mio Harada1, Tomoyuki Yatsuhashi2, Kenji Sakota2 |
| 13:20-14:50 | 2P021 | Positional effect of the Br substituents in the excited state dynamics of thienyl diketone derivatives showing room-temperature phosphorescence (Graduate School of Science, Kyushu Univ.1,Graduate School of Science, Osaka Univ.2) *Shuji Kimura1, Masaki Saigo1, Tomohiro Ryu1, Kiyoshi Miyata1, Yosuke Tani2, Ken Onda1 |
| 13:20-14:50 | 2P022 | Excited-state dynamics of 7-dehydrocholesterol observed by picosecond time-resolved raman spectroscopy and femtosecond time-resolved visible absorption spectroscopy. (Faculty of science, Gakushuin Univ1,Institute of Physical and Chemical Research2) *Risa Suzuki1, Tsukasa Tokita2, Shion Goryo1, Akira Takakado1, Koichi Iwata1 |
| 13:20-14:50 | 2P023 | Proposal of a classification method by hydrogen bond of bonding water in acrylate polymers (Graduate School of Engineering Science, Osaka University) *Kokoro Shikata, Takuma Kikutsuji, Nobuhiro Yasoshima, Kang Kim, Nobuyuki Matsubayashi |
| 13:20-14:50 | 2P024 | Excited state dynamics of difluoroboron-β-diketone with aggregation-induced emission property (Graduate School of Science and Technology, Shinshu Univ.1,Graduate School of Engineering Science, Osaka Univ.2,Department of Chemistry and Biological Science, College of Science and Engineering, Aoyama Gakuin Univ.3,Department of Applied Chemistry, Faculty of Science and Engineering, Chuo Univ.4,Department of Chemistry, Institute of Education, Shinshu Univ.5) *Yushi Fujimoto1, Hikaru Sotome2, Rintaro Shimada3, Hajime Okajima4, Akira Sakamoto3, Hiroshi Miyasaka2, Fuyuki Ito1,5 |
| 13:20-14:50 | 2P025 | Effects of substituents on two-photon absorption spectrum for diphenylacetylene derivatives (Graduate School of Science and Engineering, Aoyama Gakuin Univ.1,Division of Natural Sciences, J. F. Oberlin Univ.2) *Shota Watanabe1, Nagisa Ozaki1, Tasuku Isozaki2, Wataru Kashihara1, Tadashi Suzuki1 |
| 13:20-14:50 | 2P026 | Air-stable, d/pi-conjugated ambipolar semiconductors: effect of alkoxy chain length on dimensionality (ISSP, the University of Tokyo1,Department of Chemistry, Courage of Science, Rikkyo University2,AIST3,Department of Materials Science, Graduate School of Engineering, Osaka Metropolitan University4) *Masatoshi Ito1, Tomoko Fujino1, Lei Zhang1, So Yokomori1,2, Toshiki Higashino3, Rie Makiura4, Kanokwan Takeno4, Mitsuaki Kawamura1, Taisuke Ozaki1, Hatsumi Mori1 |
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| 13:20-14:50 | 2P027 | Synthesis of an anionic metal–organic framework including magnesium ion through ion exchagne and its ionic conductivity (Graduate School of Science, Tokyo Univ. Sci.) *Shintaro Niwa, Masaaki Sadakiyo |
| 13:20-14:50 | 2P028 | Crystal structures and physical properties of photoreactable stilbene dicarboxylate salts with CnH2n+1NH3+ (n = 1~3) (Graduate School of Engineering, Tohoku University1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University2) *Yunya Zhang1, Takashi Takeda1,2, Tomoyuki Akutagawa1,2 |
| 13:20-14:50 | 2P029 | Anion Size Effect of Mixed Sequence Ethylenedichalcogenothiophene Trimer in Charge Transfer Salts (The Institute for Solid State Physics, The University of Tokyo) *Shun Sato, Tomoko Fujino, Kota Onozuka, Ryohei Kameyama, Shun Dekura, Hatsumi Mori |
| 13:20-14:50 | 2P030 | Crystal structure and physical properties of 2,3-diaminophenazine derivatives (Graduate School of Engineering, Tohoku University1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University2) *Akari Hayashi1, Takashi Takeda1,2, Tomoyuki Akutagawa1,2 |
| 13:20-14:50 | 2P031 | Synthesis of a novel covalent organic framework including multiple functional groups through post-synthetic modification (Graduate School of Science, Tokyo Univ. Sci.) *Takahiro Sakurai, Masaaki Sadakiyo |
| 13:20-14:50 | 2P032 | Synthesis and physical properties of dimethylchyclohexene-fused TTFs (Graduate School of Science and Engineering, Ehime Univ.) *Masahiro Fujisaki, Takashi Shirahata, Yohji Misaki |
| 13:20-14:50 | 2P033 | Synthesis and ionic conductivity of covalent organic frameworks including trivalent metal ions (Graduate School of Science, Tokyo University of Science) *Ayaka Sugai, Sadakiyo Masaaki |
| 13:20-14:50 | 2P034 | Structural correlations between tetrahedral tetranuclear complexes and guest molecules in crystals (Graduate School of Science and Technology for Innovation, Yamaguchi Univ.) *Daiki Matsumoto, Chiaki Tanaka, Atsuko Suzuki, Ryo Tsunashima |
| 13:20-14:50 | 2P035 | Theoretical studies on electronic properties and magnetic interactions in [Mn(IV)3O4]4+ complex by CASCI methods (Grad. Sch. Science, Osaka Univ.1,RIKEN R-CCS2,Tsukuba Univ.3,ISIR, Osaka Univ.4) *Takashi Kawakami1,2, Masato Torii1, Koichi Miyagawa3, Shusuke Yamanaka1, Mitsutaka Okumura1, Takahito Nakajima2, Kizashi Yamaguchi4 |
| 13:20-14:50 | 2P036 | Matrix-isolation infrared spectroscopy of acetaldehyde (AIST) *Fumiyuki Ito |
| 13:20-14:50 | 2P037 | Excited state dynamics of phenol blue doped in polymer, that exhibits ultrafast non-radiative deactivation (Graduate School of Life Sciences, Ritsumeikan Univ.) *Taketomo Tanaka, Kazuki Hinago, Haruka Tsujii, Tetsuya Yamamoto, Yutaka Nagasawa |
| 13:20-14:50 | 2P038 | Crystal structure and negative thermal expansion of [Ni(dmit)2] salts with supramolecular cation composed of 2,2'-oxybis(ethylaminium) and [18]crown-6 derivative (Graduate School of Environmental Science, Hokkaido Univ.1,RIES, Hokkaido Univ.2) *Masato Haneda1, Kiyonori Takahashi1,2, Naohiro Hasuo1, Rui-kang Huang1,2, Chen Xue1,2, Takayoshi Nakamura1,2 |
| 13:20-14:50 | 2P039 | Theoretical study of deuteration effect for ice by CPLB method (Graduate School of Advanced Science and Engineering, Hiroshima Univ.) *Yuya Shimohata, Takayoshi Ishimoto, Yusuke Kanematsu, David samuel Rivera rocabado |
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| 13:20-14:50 | 2P040 | Structural control and deep-UV plasmonic response of In ultrathin film on graphene (Dep. of Chem., Kyoto Univ.1,Faculty of Liberal Arts, The Open University of Japan2) *Naoki Nagatsuka1, Kazuya Watanabe1, Tomokazu Yasuike2 |
| 13:20-14:50 | 2P041 | Evaluation of the molecular conformation of surface alkyl groups of the liquid-repellent films using SFG (Chiba University1,National Institute of Advanced Industrial Science and Technology (AIST)2) *Rika Mizuno1, Chihiro Urata2, Ken Watanabe2, Atsushi Hozumi2, Takayuki Miyamae1 |
| 13:20-14:50 | 2P042 | Reaction and ionization of functional groups at the end of alkanethiolate self-assembled monolayers (Graduate School of Science, Osaka Univ.1,Faculty of Science, Osaka Univ.2,Japan Atomic Energy Agency3,Institute for Radiation Science, Osaka Univ.4) Riku Muneyasu1, Mizuho Muroyama2, Nano Kobayakawa2, Yasutaka Tsuda3, Tetsuya Sakamoto3, Seiya Watanabe1, Takashi Yamada1, Megumi Akai1, Michio Okada4, Akitaka Yoshigoe3, *Hiroyuki s. Kato1 |
| 13:20-14:50 | 2P043 | Spectroscopy of tripodal fluorescent molecules at electrochemical interfaces: excitation spectra and potential dependence (RIKEN1,School of Frontier Sciences, The University of Tokyo2,JST PRESTO3,Laboratory of Chemistry and Life Science, Tokyo Institute of Technology4,Department of Applied Chemistry, The University of Tokyo5) *Yuzu Kobayashi1,2, Yasuyuki Yokota1,3, Jun Takeya2, Sajisha Sanjayan4, Yoshiaki Shoji4, Fukushima Takanori4, Yousoo Kim1,5 |
| 13:20-14:50 | 2P044 | Theoretical study of oxygen evolution reaction on cobalt oxide photocatalyst (Graduate School of Science, Japan Women's Univ.1,Graduate School of Nanobioscience, Yokohama City University2) *Narumi Fujiwara1, Koichi Yamashita2, Azusa Muraoka1 |
| 13:20-14:50 | 2P045 | Peculiar Aggregation on Graphite (0001) Exhibited by Molecules Composed of a Planar Ring and an Alkyl Chain Intersecting at Right Angles (Grad. Sch. Engin., Tokyo Univ. Agric. & Technol.) *Hiroto Sato, Taisuke Tanaka, Hayato Sanada, Osamu Endo, Hiroyuki Ozaki |
| 13:20-14:50 | 2P046 | Lipid monolayers on supercooled water investigated by heterodyne-detected sum frequency generation spectroscopy (Graduate School of Pure and Applied Sciences, University of Tsukuba) *Yuki Nojima, Taka-aki Ishibashi |
| 13:20-14:50 | 2P047 | In-situ IV-SFG studies on the configuration of G4-Li[TFSA] electrolyte at the Pt electrode cycled around the edges of electrochemical window (Tokyo Institute of Technology1,Sophia University2) *Luoxiao Sang1, Takashi Iwahashi1, Chengzi Qi1, Masahiro Fujita2, Yukio Ouchi1 |
| 13:20-14:50 | 2P048 | Measurement of total internal reflection Raman spectra of gramicidin A in phospholipid bilayer membrane (Graduate School of Science and Technology, University of Tsukuba) *Saya Suzuki, Masato Kondoh, Taka-aki Ishibashi |
| 13:20-14:50 | 2P049 | Molecular science of dental adhesion based on quantum chemical calculation: comprehensive analysis of adhesion mechanisms between zirconia materials and phosphate adhesives (Institute for Materials Chemistry and Engineering, Kyushu Univ.) *Takahiro Uwabe, Yosuke Sumiya, Kazunari Yoshizawa |
[Clusters/particles/nanostructures]
| 13:20-14:50 | 2P050 | Fluorescence lifetime measurement of dye molecules in a microdroplet using a thermally insulated chamber (Graduate School of Science, Osaka City Univ.1,Graduate School of Science, Osaka Metropolitan Univ.2) *Ryo Miyashita1, Masaki Noguchi1, Tomoyuki Yatsuhashi2, Kenji Sakota2 |
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| 13:20-14:50 | 2P051 | Catalytic activity of size-selected Pt-Tb alloy nanoclusters in the oxygen reduction reaction at fuel cell cathodes (Fac. Sci. Keio Univ.) *Kimika Matsunaga, Atsushi Nakajima |
| 13:20-14:50 | 2P052 | Synthesis of α-Cu2Se nanowires by photoreduction method and their electronic structures. (Graduate School of Science and Engineering, Chuo Univ.) *Tatsuki Miura, Kazuki Munakata, Shunichiro Miwa, Shunya Sakane, Hideki Tanaka |
| 13:20-14:50 | 2P053 | Electronic structures and laminated structure of sumanene-typed quinoid monocation molecules (Graduate School of Science, Japan Women’s Univ.1,Graduate School of Engineering, Osaka Univ.2) *Yuika Baba1, Hidehiro Sakurai2, Azusa Muraoka1 |
| 13:20-14:50 | 2P054 | Structural investigation for lanthanide/minor actinide ion complexes by quantum chemical calculations and Comparison with SEIRA Spectra (Department of Chemistry, Graduate School of Advanced Science and Engineering, Hiroshima University) *Seita Tamekuni, Sakiko Hirata, Shogo Meiji, Satoru Muramatsu, Yoshiya Inokuchi |
| 13:20-14:50 | 2P055 | Electronic structure analysis on the adsorption sites of oxygen molecules on platinum clusters (Grad. Sch. of Chem. Sci. and Eng., Hokkaido Univ.1,Hokkaido Univ., Institute for catalysis2) *Hinoki Hirase1, Kenji Iida2, Jun-ya Hasegawa2 |
| 13:20-14:50 | 2P056 | Optical properties of trimetallic superatom X@Au11Y (X = Pt, Pd; Y = Cd, In): synergistic enhancement of photoluminescence quantum yield by co-doping (Graduate School of Science, The University of Tokyo1,ESICB, Kyoto University2) *Megumi Suyama1, Shinjiro Takano1, Tatsuya Tsukuda1,2 |
| 13:20-14:50 | 2P057 | Development of apparatus for infrared photodissociation spectroscopy of thermally induced reaction on gas phase clusters (Graduate School of Arts and Sciences, The Univ. of Tokyo1,Graduate School of Science, The Univ. of Tokyo2) *Tianyue Zhou1, Kosuke Tomozawa2, Satoshi Kudoh1, Toshiaki Nagata1, Ken Miyajima1, Fumitaka Mafune1 |
| 13:20-14:50 | 2P058 | Synthesis of 1-nm-sized IrPdPtRhRu high-entropy alloy nanoparticles with continuous-flow reactor and evaluation of their hydrogen evolution catalytic activity (Grad. Sch. Sci., Kyoto Univ.1,Hakubi Cent. Adv. Res., Kyoto Univ.2,JST PRESTO3,URC, Kyushu Univ.4,Grad. Sch. Eng., Kyushu Univ.5,JASRI/SPring-86,Osaka Metro. Univ.7) *Hiroki Minamihara1, Kohei Kusada1,2,3, Dongshuang Wu1, Tomokazu Yamamoto4, Takaaki Toriyama4, Syo Matsumura4,5, Loku Singgapulige rosantha kumara6, Koji Ohara6, Osami Sakata6, Shogo Kawaguchi6, Yoshiki Kubota7, Hiroshi Kitagawa1 |
| 13:20-14:50 | 2P059 | Structural transitions of platinum clusters and time variation of electronic states (Graduate School of Science and Technology, Keio Univ.) *Ryoto Umeda, Taichi Inagaki, Miho Hatanaka |
| 13:20-14:50 | 2P060 | Selection rule of superatom for near-field excitation (School of Science, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2,JST-PRESTO3) *Sarina Kaga1, Tetsuya Taketsugu2, Takeshi Iwasa2,3 |
| 13:20-14:50 | 2P061 | Control of Fluorescence of Near-infrared-emitting Bimetallic Au-Ag Nanoclusters (Department of Chemistry, Toho University) *Shunsuke Taniguchi, Toshiki Sugai |
| 13:20-14:50 | 2P062 | Realization and evaluation of micromechanical motion by photon pressure caused by the absorption of dye molecules in excited state (Graduate School of Engineering science, Osaka Univ.) *Masato Mori, Syoji Ito, Hiroshi Miyasaka |
| 13:20-14:50 | 2P063 | Quantification of a single RNA/peptide mixed-droplet using Raman imaging (Graduate School of Pharmaceutical Sciences, Tohoku Univ.1,Faculty of Frontiers of Innovative Research in Science and Technology, Konan Univ.2,JST PRESTO3) *Kohei Yokosawa1, Mitsuki Tsuruta2, Shinji Kajimoto1,3, Daisuke Miyoshi2, Takakazu Nakabayashi1 |
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| 13:20-14:50 | 2P064 | Developments of hemeprotein-based molecular heaters (Graduate School of Science, Osaka Univ.) *Taro Watase, Misao Mizuno, Haruto Ishikawa, Yasuhisa Mizutani |
| 13:20-14:50 | 2P065 | Study of optical properties of near-infrared dyes for cellular single molecular imaging (Department of Physics,Tokyo Institute of Technology1,Institute of Innovative Research,Tokyo Institute of Technology2,Department of Applied Chemistry, Waseda University3) *Hidekazu Aramaki1, Kazuki Kuramoto1, Kanta Naruse1, Mitio Matsushita1, Haruka Oda2, Takeshi Shimi2, Hiroshi Kimura2, Ryuya Miyazaki3, Kei Muto3, Junichiro Yamaguchi3, Satoru Fujiyoshi1 |
| 13:20-14:50 | 2P066 | Development of independent fluorescence component analysis based on concentration perturbation (Mol. Spectrosc. Lab., RIKEN1,RAP, RIKEN2) Wooseok Heo1, *Kunihiko Ishii1,2, Tahei Tahara1,2 |
| 13:20-14:50 | 2P067 | Component analysis of stress granules in cells using near-infrared fluorescence and Raman imaging (Graduate School of Pharmaceutical Sciences, Tohoku Univ.1,JST PRESTO2,RIKEN BDR3,Graduate School of Medicine, Univ. of Tokyo4) *Ren Shibuya1, Shinji Kajimoto1,2, Tetsuro Ariyoshi3,4, Yasushi Okada3,4, Takakazu Nakabayashi1 |
| 13:20-14:50 | 2P068 | Structural analysis of the primary intermediate in viral rhodopsin OLPVRⅠ using low-temperature FT-IR spectroscopy (Nagoya Institute of Technology Graduate School of Engineering) *Mako Aoyama, Kota Katayama, Hideki Kandori |
| 13:20-14:50 | 2P069 | Free Energy Profile Analysis of the Aggregation-Induced Emission Process of a Triskelion-Shaped Molecule (Chiba Institute of Technology1,Kitasato University2) *Nao Yanagi1, Masafumi Ueda2, Norifumi Yamamoto1 |
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| 13:20-14:50 | 2P070 | Theoretical Study of Si=P Double Bond Cleavage by N-Heterocyclic Carbene Addition to Phosphasilene (Faculty of Science and Engineering, Keio Univ.1,Faculty of Science and Engineering, Kindai Univ.2) *Takayoshi Yoshimura1, Tsukasa Matsuo2, Miho Hatanaka1 |
| 13:20-14:50 | 2P071 | Theoretical study on deacylation process in TEM-1 using molecular dynamics simulation (Osaka Pref. Univ.1,RIMED2) *Miki Ogawa1, Shiro Koseki1,2, Yuki Mitsuta1,2, Toshio Asada1,2 |
| 13:20-14:50 | 2P072 | Molecular dynamics study toward the development of potential parameters for cellulose (Graduate School of Science and Engineering, University of Toyama) *Tomoka Nakamura, Tatsuya Ishiyama |
| 13:20-14:50 | 2P073 | DFT and CASPT2 study of the Cu-catalyzed coupling reactions (Grad.School of Sci.,TMU) *Nan He, Naoki Nakatani, Masahiko Hada |
| 13:20-14:50 | 2P074 | Classical correction to quantum computing using approximate unitary coupled clusters (Graduate School of Science, Technology and Innovation Kobe Univ1,Graduate School of System Informatics Kobe Univ2,JST PRESTO3) *Masaki Taii1, Chung Tsang siu2, Seiichiro Ten-no2, Takashi Tsuchimochi2,3 |
| 13:20-14:50 | 2P075 | Elucidation of the reaction mechanism of 1,4-addition of 1,3,5-trimethoxybenzene to N-methylmaleimide by quantum chemical calculations (Faculty of Liberal Arts and Sciences, Chukyo Univ.1,Graduate School of Informatics, Nagoya Univ.2) *Chizuru Muguruma1, Nobuaki Koga2 |
| 13:20-14:50 | 2P076 | Theoretical study on electronic structures of one-dimensional open-shell molecular aggregates based on a valence-bond (VB) configuration interaction model: Effects of spatial expansion of VB orbitals (Graduate School of Engineering Science, Osaka University1,Center for Computational Sciences (CCS), University of Tsukuba2,Osaka Institute of Public Health3,Research Center for Solar Energy Chemistry (RCSEC), Osaka University4,Quantum Information and Quantum Biology (QIQB), Osaka University5,ICS-OTRI, Osaka University6,Research Center for Solar Energy Chemistry (RCSEC), Osaka University7) *Wataru Yoshida1, Yasuteru Shigeta2, Hiroshi Matsui3, Ryohei Kishi1,4,5,6, Yasutaka Kitagawa1,4,5,6,7 |
| 13:20-14:50 | 2P077 | Analysis of absorption spectra of the light-harvesting complex 2 with QM/MM level molecular dynamics simulation (Graduate School of Engineering, Kyoto Univ.1,FIFC, Kyoto Univ.2) *Shunsuke Yabu1, Hirofumi Sato1,2, Masahiro Higashi1 |
| 13:20-14:50 | 2P078 | Theoretical study on frontier orbital energy of binuclear Ir–M (M=Fe, Co, Ni, Cu, Zn) complexes bridged by pyrazole ligand (Graduate School of Engineering Science, Osaka Univ.1,QIQB, Osaka Univ.2,RCSEC, Osaka Univ.3,ICS Osaka Univ.4,CSRN, Osaka Univ.5) *Yuta Hayashi1, Naoka Amamizu1, Taigo Kamimura1, Keigo Cho1, Keisuke Sasaki1, Masahiro Tsuda1, Ryohei Kishi1,2,3,4, Yasutaka Kitagawa1,2,3,4,5 |
| 13:20-14:50 | 2P079 | Absorption properties of the near-infrared emitting substrate : seMpai (Graduate School of Science and Technology, Gunma Univ.1,Institute for Solid State Physics, The Univ. of Tokyo2,School of Science and Technology,Gunma Univ.3,Department of Applied Chemistry and Biochemical Engineering, Graduate School of Engineering, Shizuoka Univ.4,Department of Engineering Science, Graduate School of Informatics and Engineering, The Univ. of Electro-Communications5,Center for Neuroscience and Biomedical Engineering (CNBE), The Univ. of Electro-Communications6,Department of Chemical and Biological Sciences, Faculty of Science, Japan Woman's Univ.7,Tokyo University of Pharmacy and Life Sciences8,Gunma University Center for Food Science and Wellness9) *Masahiro Harada1, Ryohei Ono1,2, Ryuki Shibayama3, Keita Osawa1, Tamotsu Uchiyama1, Yosifumi Noguchi4, Ryohei Saito-moriya5,7, Hiroshi Aoyama8, Nobuo Kitada5,6, Shojiro A. Maki5,6, Takashi Hirano5, Hidefumi Akiyama2, Hideyuki Itabashi1,3,9, Miyabi Hiyama1,3,9 |
| 13:20-14:50 | 2P080 | Computational Study on the Bioluminescence Mechanism of an Artificial Luminescent Substrate Modeled after Fireflies (CIT1,Gunma University2) *Masaya Sakuma1, Miyabi Hiyama2, Norifumi Yamamoto1 |
| 13:20-14:50 | 2P081 | Chemistry based on electron density: elucidation of long-range interaction regions (Grad. School of Chem. Sci. and Eng., Hokkaido Univ.1,Fac. Sci., Hokkaido Univ.2,L-Station, Hokkaido Univ.3,Grad. School of System Informatics, Kobe Univ.4,ICReDD, Hokkaido Univ.5) *Masatoshi Hasebe1, Takuro Tsutsumi2,3, Takao Tsuneda2,4, Tetsuya Taketsugu2,5 |
| 13:20-14:50 | 2P082 | Theoretical research of conical intersections in solution (Graduate School of Arts and Sciences, UTokyo) *Qingyu Zhu, Daisuke Yokogawa |
| 13:20-14:50 | 2P083 | Chemical reaction control by localized surface plasmonic nanocavities (Faculty of Liberal Arts, The Open University of Japan) *Tomokazu Yasuike |
| 13:20-14:50 | 2P084 | Theoretical study of a non-fullerene acceptor thin film with the long-lived S1 excited state (Graduate School of Engineering, Kyoto Univ.1,Fukui Institute for Fundamental Chemistry, Kyoto Univ.2,iCeMS, Kyoto univ.3) *Takumi Urakami1, Hirofumi Sato1,2, Hiroshi Imahori1,3, Masahiro Higashi1 |
| 13:20-14:50 | 2P085 | Excited state reaction pathways and dynamics of cyanine dye 1122C (Grad. School of Chem. Sci. Eng., Hokkaido Univ.1,Fac. Sci., Hokkaido Univ.2,L-Station, Hokkaido Univ.3,WPI-ICReDD, Hokkaido Univ.4) *Yusuke Minegishi1, Kenichiro Saita2, Takuro Tsutsumi2,3, Tetsuya Taketsugu2,4 |
| 13:20-14:50 | 2P086 | Effect of nitrogen on electronic properties of azaphenacene (Sanyo-Onoda City Univ., Fac. Eng1,Kumamoto Univ., Fac. Adv. Sci. Tech.2) *Nobutsugu Hamamoto1, Makoto Inokuchi1, Hitoshi Fujimoto2 |
| 13:20-14:50 | 2P087 | A molecular dynamics simulation study on excited state dynamics of [Fe(bpy)3]2+ (Graduate School of Informatics, Nagoya Univ.) *Satoru Iuchi, Nobuaki Koga |
| 13:20-14:50 | 2P088 | [Withdraw] |
| 13:20-14:50 | 2P089 | Reaction space projector analysis of complex reaction route map of organic chemical reaction (Grad. School Chem. Sci. Eng., Hokkaido Univ.1,Grad. School Sci., Hokkaido Univ.2,L-Station, Hokkaido Univ.3,ICReDD, Hokkaido Univ.4) *Qu Lihao1, Takuro Tsutsumi2,3, Yuriko Ono4, Tetsuya Taketsugu2,4 |
| 13:20-14:50 | 2P090 | Theoretical study on relationship between intramolecular charge polarization and intermolecular interactions in singlet fission process (Graduate School of Engineering Science, Osaka University.1,Center for Quantum Information and Quantum Biology, Osaka University.2,Research Center for Solar Energy Chemistry, Osaka University.3,Center for Spintronics Research Network, Osaka University.4) *Ryota Sakai1, Seiya Tsuchida1, Ryohei Kishi1,2,3, Yasutaka Kitagawa1,2,3,4 |
| 13:20-14:50 | 2P091 | Theoretical Study on Structure-Property Relationship of Open-Shell Fused-Ring Conjugated Molecules Involving Eight-Membered Ring (Graduate School of Engineering Science, Osaka Univ1,CSRN2,QIQB3,RCSEC4,ICS-OTRI5) *Seiya Tsuchida1, Ryota Sakai1, Masato Ikeuchi1, Ryohei Kishi1,3,4,5, Yasutaka Kitagawa1,2,3,4,5 |
| 13:20-14:50 | 2P092 | Comparison of conformational stability between L-Pro-Gly and D-Pro-Gly residues by using molecular dynamics simulation (Osaka Metropolitan University1,RIMED2) *Takaharu Katsu1,2, Toshio Asada1,2, Yuki Mitsuta1,2, Shiro Koseki1,2 |
| 13:20-14:50 | 2P093 | Reaction mechanism of ammonia synthesis reaction catalyzed by molybdenum cluster (Graduate School of Engineering, The University of Tokyo) *Tomoko Yokaichiya, Tatsushi Ikeda, Akira Nakayama |
| 13:20-14:50 | 2P094 | Transport Pathways of Alkaline Earth Metal Ions in the Prussian White Framework (Faculty of Science, Yamagata Univ.1,Faculty of Life Science, Kyushu Sangyo Univ.2) *Takumi Muto1, Yoshihide Nakao2, Manabu Ishizaki1, Masato Kurihara1, Hideo Ando1 |
| 13:20-14:50 | 2P095 | Theoretical analysis on the properties of sulfur cross-linked polymer models using molecular dynamics and machine learning (Graduate School of Advanced Science and Engineering, Hiroshima Univ.) *Kohei Yoshida, Yusuke Kanematsu, Takayoshi Ishimoto |
| 13:20-14:50 | 2P096 | Formulating a new diffusion equation theory in the energy coordinate for description of solvation dynamics (Graduate School of Engineering Science, Osaka Univ.) *Kazuya Okita, Kento Kasahara, Nobuyuki Matubayasi |
| 13:20-14:50 | 2P097 | Approximation of local chemical potential using the lowest unoccupied molecular orbital (Graduate School of Engineering, Kyoto Univ.) *Kaito Tanaka, Masato Senami |
| 13:20-14:50 | 2P098 | Nuclear-Electronic Orbital study of quantum property changes of organic molecules by H/D difference (Faculty of Science and Engineering, Chuo Univ.) *Kohei Motoki, Hirotoshi Mori |
| 13:20-14:50 | 2P099 | Computational approach to propose desired hole transporting materials by machine learning method (Osaka Pref. Univ.1,RIMED2) *Keijin Nakaguro1, Toshio Asada1,2, Yuki Mitsuta1,2, Shiro Koseki1,2 |