Tuesday, September 21 (13:20 - 15:00)
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
| 13:20-15:00 | 4P001 | On the fly MD study on excited state reaction dynamics of phenol-ammonia systems (Graduate School of Chemical Sciences and Engineering, Hokkaido University1,Department of Chemistry, Faculty of Science, Hokkaido University2,Natural Science Division, Faculty of Core Research, Ochanomizu University3,WPI-ICReDD, Hokkaido University4) *Kenichiro Iwata1, Takuro Tsutsumi2, Kenichiro Saita2, Mitsuhiko Miyazaki3, Tetsuya Taketsugu2,4 |
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| 13:20-15:00 | 4P002 | Imaging study of vibrational predissociation processes of H3O+Ar and NH3+Ar complex ions (Graduate School of Science, Tohoku University1,Faculty of Science, Tohoku University2) *Mizuhiro Kominato1, Kazuma Nakabayashi2, Yuri Ito1, Yuji Nakashima1, Manabu Kanno1, Fuminori Misaizu1 |
| 13:20-15:00 | 4P003 | Dissociation process of O2 induced by an intense laser field using a rotational wave packet (Graduate School of Arts and Sciences, The Univ. of Tokyo1,Komaba Institute for Science, The Univ. of Tokyo2) *Ayumi Kubo1, Shinichi Fukahori1,2, Hirokazu Hasegawa1,2 |
| 13:20-15:00 | 4P004 | Determination of binding energies in benzene-H2 clusters by Laser Spectroscopy and Quantum Chemical Calculation (School of Science, Tokyo Tech1,School of Science, Kitasato2) *Yanyu Ma1, Toru Sasaki1, Masaaki Nakamura1, Kenta Mizuse2,1, Yasuhiro Ohshima1 |
| 13:20-15:00 | 4P005 | Laser induced amplified spontaneous emission between the F 0u+ (3P0) and E 0g+ (3P2) states of Cl2 (Graduate School of Science, Tokyo Univ. of Science) *Oji Yamamoto, Shoma Hoshino, Koichi Tsukiyama |
| 13:20-15:00 | 4P006 | Fluorescence excitation and dispersed fluorescence spectra of jet-cooled molecule by means of two-photon excitation (Graduate School of Engineering, Nihon Univ1,College of Engineering Nihon Univ.2) *Yu-to Naganuma1, Yu-ta Seki1, Katsuhiko Okuyama2 |
| 13:20-15:00 | 4P007 | Coulomb explosion imaging of rotational and vibrational wave packet dynamics in noble-gas dimer (School of Science, Kitasato Univ.1,School of Science, Tokyo Institute of Technology2) *Urara Sato1, Kenta Mizuse1,2, Haruki Ishikawa1, Yasuhiro Ohshima2 |
| 13:20-15:00 | 4P008 | Infrared spectroscopic study on dihydrogen-bonded structures of acetylene-alkylsilane clusters (Graduate School of Integrated Science and Technology, Shizuoka Univ.1,Faculty of Science, Shizuoka Univ.2,Faculty of Science, Kitasato Univ.3) *Arisu Hirota1, Sakura Takahashi2, Yoshiteru Matsumoto2, Haruki Ishikawa3 |
| 13:20-15:00 | 4P009 | Mass spectrometry of product obtained by association reaction of C6H14 induced by femtosecond laser filament (Dep. Chem, Nagoya, Univ.1,RCMS, Nagoya Univ.2) *Yuya Okumura1, Akitaka Matsuda1, Akiyoshi Hishikawa1,2 |
| 13:20-15:00 | 4P010 | Ultrafast spectroscopy of internal conversion in ethylene (Graduate School of Science, Kyoto Univ.) *Shutaro Karashima, Natsumi Orimo, Toshinori Suzuki |
| 13:20-15:00 | 4P011 | Structure of aminopyrazine hydrated cluster (Graduate School of Science, Fukuoka Univ.) *Hayato Sakata, Yuji Yamada, Yoshinori Nibu |
| 13:20-15:00 | 4P012 | Synthesis and fluorescence property of 2,5-bis(dicyanomethylene)-2,5-dihydrothiophene in solid phase and solvents (Department of Sciences and Informatics, Muroran Tech.) *Yukinori Enomoto, Shogo Kaneta, Toshifumi Iimori |
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| 13:20-15:00 | 4P013 | Development of a structured illumination Raman microscope for label-free super-resolution living cells imaging (Graduate School of Pharmaceutical Sciences, Tohoku Univ.) *Akira Abe, Shinji Kajimoto, Takakazu Nakabayashi |
| 13:20-15:00 | 4P014 | Charge effects on the intermolecular dynamics of aromatics in water (Department of Chemistry, Chiba University) *Masako Shimizu, Hideaki Shirota |
| 13:20-15:00 | 4P015 | Synthesis of three deuterated compounds of 9-phenylanthracene (9PA) and Raman spectroscopic analysis of electronic excited 9PA (Graduate School of Science and Engineering, Aoyama Gakuin University1,Faculty of Science and Engineering, Chuo University2) *Yuka Yoshizawa1, Hiroki Sato1, Hajime Okajima2, Rintaro Shimada1, Akira Sakamoto1 |
| 13:20-15:00 | 4P016 | Photochromism mechanism of negative photochromic bridged-imidazole dimer (Aoyama Gakuin Univ.) *Kotaka Keito, Hiroki Ito, Emii Takano, Katsuya Mutoh, Jiro Abe |
| 13:20-15:00 | 4P017 | Local viscosity of choline chloride based deep eutectic solvents observed by picosecond time-resolved fluorescence spectroscopy (Faculty of Science, Gakushuin U) *Naoki Sakurai, Koichi Iwata |
| 13:20-15:00 | 4P018 | Measurement of viscoelastic relaxation of liquids in the GHz regime by means of electrode-less QCM-D method (Nagoya Univ) *Tsuyoshi Yamaguchi, Tatsuro Matsuoka |
| 13:20-15:00 | 4P019 | Theoretical prediction of isotope effect depending on substitution sites (FIFC, Kyoto Univ.1,Grad. Sch. Eng., Kyoto Univ.2,ESICB, Kyoto Univ.3) *Tatsuhiro Yada1,2, Naoki Haruta1,2,3, Tohru Sato1,2,3 |
| 13:20-15:00 | 4P020 | Development of cavity length control method of optical cavity for vibrational polariton measurement (Graduate School of Science and Technology, Nara Institute of Science and Technology.) *Hayata Yamada, Stemo Garrek, Hiroyuki Katsuki, Hisao Yanagi |
| 13:20-15:00 | 4P021 | Phase separation behavior of PNIPAM aqueous solution in micron-sized reverse micelles (Graduate School of Science, Osaka City University) *Akitoshi Sumimoto, Tomoyuki Yatsuhashi, Kenji Sakota |
| 13:20-15:00 | 4P022 | Water behavior in hydrate acrylate polymers: microstructure and dynamics characterized by hydrogen bondings (Graduate School of Engineering Science, Osaka University) *Takuma Kikutsuji, Nobuhiro Yasoshima, Kang Kim, Nobuyuki Matubayasi |
| 13:20-15:00 | 4P023 | Synthesis of metal-organic frameworks containing dibenzo[24]crown-8 moiety (Graduate School of Environmental Science, Hokkaido Univ.1,RIES, Hokkaido Univ.2) *Masato Haneda1, Kiyonori Takahashi1,2, Kenta Kokado1,2, Rui-kang Huang1,2, Chen Xue1,2, Takayoshi Nakamura1,2 |
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| 13:20-15:00 | 4P024 | Dielectric response arising from solid-state molecular motion of five-membered heteroaromatic cations in supramolecular channel structure of dibenzo[24]crown-8 (Graduate School of Environmental Science, Hokkaido Univ.1,RIES, Hokkaido Univ.2) *Hiroki Sakai1, Kiyonori Takahashi1,2, Kenta Kokado1,2, Rui-kang Huang1,2, Chen Xue1,2, Takayoshi Nakamura1,2 |
| 13:20-15:00 | 4P025 | Crystal Structures and Physical Properties of Ethylsulfonate-substituted Naphthalene Diimide Derivative (Graduate School of Engineering, Tohoku University1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University2,Graduate School of Engineering, Kyoto University3) *Ryo Ide1, Ayumi Kawasaki1, Takashi Takeda1,2, Norihisa Hoshino1,2, Wakana Matsuda3, Shu Seki3, Tomoyuki Akutagawa1,2 |
| 13:20-15:00 | 4P026 | Crystal Structures and Physical Properties of Stilbene Dicarboxylate Salts with Alkylammonium (Graduate School of Engineering, Tohoku University) *Yunya Zhang, Takashi Takeda, Norihisa Hoshino, Tomoyuki Akutagawa |
| 13:20-15:00 | 4P027 | Elucidation of ion insertion behavior using the single crystal of phthalocyaninato complexes (Graduate School of Science, Tohoku Univ1,Josai University2) *Tetsu Sato1, Breedlove Brian1, Shinya Takaishi1, Masahiro Yamashita1, Keiichi Katoh2 |
| 13:20-15:00 | 4P028 | Single-crystalline Charge-transfer Salts of Electron-rich Ethylenedichalcogenothiophene （EDXT：X = O, S）Dimers: Atom-substituted Effects (ISSP, The Univ. of Tokyo) *Kazuki Matsuo, Tomoko Fujino, Ryohei Kameyama, Kota Onozuka, Hatsumi Mori |
| 13:20-15:00 | 4P029 | Structural and transistor properties of charge-transfer complexes of 1,2,3-Trimethyl-2,3-dihydro-1H- benzimidazole (DMBI) and fluorene (School of Materials and Chemical Technology, Tokyo Tech) *Baiyan Liu, Kanae Suzuki, Ryu Nishikawa, Tadashi Kawamoto, Takehiko Mori |
| 13:20-15:00 | 4P030 | Photocurrent measurements of phonon-selective excitation and electron-phonon interaction in single-crystal rubrene (Graduate School of Science and Technology, Nara Institute of Science and Technology.) *Issei Komatsu, Keisuke Yano, Hiroyuki Katsuki, Hisao Yanagi |
| 13:20-15:00 | 4P031 | Structure and properties of α-(BETS)2(HOC2H4SO3) （２） (Graduate School of Science, Osaka University) *Hiroki Akutsu, Yuta Koyama, Yasuhiro Nakazawa |
| 13:20-15:00 | 4P032 | Measurement of dielectric constant of organic thin films. (Graduate School of Material Science, University of Hyogo) *Koji Yamaguchi, Akito Kimura, Kouya Shiraishi, Hiroyuki Tajima, Tomofumi Kadoya |
| 13:20-15:00 | 4P033 | Structure and dielectric property of molecular perovskite compound consisting of hexamethylenetetramine (Graduate School of Sciences and Technology for Innovation, Yamaguchi University) *Hiroki Honda, Ryo Tsunashima |
| 13:20-15:00 | 4P034 | Synthesis, structures and physical properties of molecular conductors based on TSF substituted with meso-dimethylethylenedithio group (Graduate School of Science and Engineering, Ehime University1,Research Unit for Power Generation and Storage Materials, and Research Unit for Development of Organic Superconductors, Ehime University2) *Naoya Kinoshita1, Akashi Fujii1, Takashi Shirahata1,2, Yohji Misaki1,2 |
| 13:20-15:00 | 4P035 | Temperature Dependence of Device Characteristics for OFETs Composed of a Stable Organic Radical (Graduate School of Science and Technology, Kumamoto Univ.1,Faculty of Advanced Science and Technology, Kumamoto Univ.2) *Shota Masuda1, Masaki Matsuda2 |
| 13:20-15:00 | 4P036 | Synthesis, structure, and properties of a hydrogen-bonded organic conductor based on a novel TTF derivative having a carboxy group (Graduate School of Advanced Science, Kumamoto Univ.) *Yoshiki Kaneko, Akira Ueda |
| 13:20-15:00 | 4P037 | Theoretical Study on the charge separation process in NTz based Fluorinated Non Fullerene Type Organic Thin Film Solar Cells (Graduate School of Science, Japan Women's Univ.1,Faculty of Science, Japan Women's Univ.2,Elements Strategy Initiative for Catalysts and Batteries, Kyoto University3) *Sumire Ikeyama1, Nozomi Ohta1, Reina Tachibana2, Azusa Muraoka1, Koichi Yamashita3 |
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| 13:20-15:00 | 4P038 | Theoretical Study on the Effects of Fluorine Substitution in Non-Fullerene Organic Solar Cells (Graduate School of Science, Japan Women's Univ.1,Elements Strategy Initiative for Catalysts and Batteries, Kyoto University2) *Megumi Mineshita1, Nozomi Ohta1, Koichi Yamashita2, Azusa Muraoka1 |
| 13:20-15:00 | 4P039 | Nanoscale structures of aromatic hydrocarbons on graphite (Graduate school of science, Osaka Univ.) *Natsumi Murase, Koki Hayashida, Takashi Yamada, Hiroyuki Kato, Michio Okada, Megumi Akai |
| 13:20-15:00 | 4P040 | Molecular dynamics simulation of end-alkylated glycol-alkanethiol block oligomers on gold nanoparticle surfaces with different curvatures (Faculty of Engineering, Hokkaido Univ1,Graduate school of chemical sciences, Hokkaido Univ2,Research institute for electronic science, Hokkaido Univ3,Graduate school of life science, Hokkaido Univ4) *Xueming Su2,1, Kun Xiong3,4, Kniharu Ijiro3,4, Hideyuki Mitomo3,4, Shin-ichiro Sato1,2 |
| 13:20-15:00 | 4P041 | Electron Transfer of a Fullerene Derivative, [60]PCBM, in Electron Donating Solvents (Graduate School of Life Science, Ritsumeikan Univ.) *Haruka Tsujii, Yuto Masaoka, Kazuki Hinago, Yutaka Nagasawa |
| 13:20-15:00 | 4P042 | Diversification of ANS adsorption state on BSA depending on the concentration of coexistent sodium deoxycholate (Tokyo University of Science) *Yuya Kurosawa, Yuta Otsuka, Satoru Goto |
| 13:20-15:00 | 4P043 | Superior dispersion stability of silver nanoparticles by cyclic poly(ethylene glycol): Effect of the polymer topology. (Graduate School of Chemical Science and Engineering, Hokkaido University1,Faculty of Engineering, Hokkaido University2) *Onyinyechukwu Oziri1, Yubo Wang1, Tomohisa Watanabe1, Shuya Uno1, Masatoshi Maeki2, Manabu Tokeshi2, Takuya Yamamoto2 |
| 13:20-15:00 | 4P044 | Adsorption and desorption of SHG-active dye Ap3 on planar supported lipid bilayers monitored by VSFG spectroscopy (Grad. Sch. of Pure and Appl. Sci., Univ. of Tsukuba) *Masato Kondoh, Koki Nakajima, Tatsuo Arai, Taka-aki Ishibashi |
[Clusters/particles/nanostructures]
| 13:20-15:00 | 4P045 | Multiphoton-dissociation spectroscopy of size-selected silver cluster cations: Spectral features depending on the geometric structure (Graduate School of Science, Kyushu Univ.) *Shun Kawamura, Satoshi Kono, Masashi Arakawa, Takuya Horio, Akira Terasaki |
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| 13:20-15:00 | 4P046 | Reaction of rhodium oxide clusters toward CO investigated by thermal desorption spectrometry in the gas phase (School of Arts and Sciences, The University of Tokyo) *Xuemei Chen, Toshiaki Nagata, Ken Miyajima, Fumitaka Mafuné |
| 13:20-15:00 | 4P047 | Molecular weight dependence and growth mechanism of polymer in the synthesis of solid solution type gold-platinum alloy nanoparticles (Graduate School of Science, Chiba Univ1,Graduate School of Engineering, Utsunomiya Univ2) *Shun Terauchi1, Nobuo Uehara2, Takehisa Konishi1, Tomotaka Kayama1, Takeshi Morita1 |
| 13:20-15:00 | 4P048 | Structural investigation for lanthanide/minor actinide ion complexes by quantum chemical calculations and SEIRA spectroscopy (Department of Chemistry, Graduate School of Advanced Science and Engineering, Hiroshima University) *Seita Tamekuni, Sakiko Hirata, Shogo Meiji, Takumi Honda, Satoru Muramatsu, Yoshiya Inokuchi |
| 13:20-15:00 | 4P049 | Terahertz Raman scattering of Au8 clusters (Faculty of Environmental Earth Science, Hokkaido Univ.1,Graduate School of Environmental Science, Hokkaido Univ.2) Masaru Kato1,2, Yukatsu Shichibu1,2, Kazuya Ogura2, Mitsuhiro Iwasaki2, Mizuho Sugiuchi2, Katsuaki Konishi1,2, *Ichizo Yagi1,2 |
| 13:20-15:00 | 4P050 | Label-free tracking of drug nanoparticles in living cells by Raman and fluorescence spectroscopy (Faculty of Pharmaceutical Sciences, Tohoku Univ.1,Graduate School of Pharmaceutical Sciences, Tohoku Univ.2,Institute of Multidisciplinary Research for Advanced Materials, Tohoku Univ.3) *Masato Machida1, Toshiki Sugimura2, Yoshitaka Koseki3, Hitoshi Kasai3, Shinji Kajimoto1,2, Takakazu Nakabayashi1,2 |
| 13:20-15:00 | 4P051 | The structure and collision-induced dissociation of guanosine complex ions (Graduate School of Nanobioscience, Yokohama City Univ.) *Wataru Kadota, Takaaki Iyama, Julie Morishita, Yuto Yonebayashi, Hiroto Ohta, Satofumi Tago, Yasutaka Soga, Soju Tomiyama, Yurika Hayakawa, Shinji Nonose |
| 13:20-15:00 | 4P052 | Thiolate-protected gold nanoclusters as electrocatalysts in water splitting and fuel cells (Graduate School of Science, Tokyo University of Science) *Tokuhisa Kawawaki, Yusuke Mitomi, Tomoya Tanaka, Naoki Nishi, Yuichi Negishi |
| 13:20-15:00 | 4P053 | Localized surface plasmonic resonances of size-selected silver nanoclusters soft-landed on an organic substrate (Faculty of Sci. & Eng., Keio Univ.1,Faculty of Eng., Osaka City Univ.2) *Kaito Mizoguchi1, Tomoya Inoue1, Masahiro Shibuta1,2, Atsushi Nakajima1 |
| 13:20-15:00 | 4P054 | Elucidation of the effect of alloying of thiolate protected metal nano clusters on ligand exchange reactions: Precise separation and reaction tracking by High-Performance Liquid Chromatography (Graduate School of Science, Tokyo University of Science) *Hikaru Horihata, Ayano Ebina, Tokuhisa Kawawaki, Yuichi Negishi |
| 13:20-15:00 | 4P055 | Formation of molecular on interstellar ice (Graduate School of Science and Engineering, Toyo Univ.) *Shohei Zenji, Motomichi Tashiro |
| 13:20-15:00 | 4P056 | Development of label-free intracellular analysis methods using Raman imaging and deep learning (Graduate School of Pharmaceutical Sciences, Tohoku Univ.) *Hiroaki Takahashi, Shinji Kajimoto, Takakazu Nakabayashi |
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| 13:20-15:00 | 4P057 | Development of a method for removing intrinsic noise in atomic force microscopy called parachuting (Graduate School of Medicine, McGill University1,Graduate School of Science, Kyoto University2,Nano Life Science Institute, Kanazawa University3) *Shintaroh Kubo1,2, Kenichi Umeda3, Noriyuki Kodera3, Shoji Takada2 |
| 13:20-15:00 | 4P058 | Thermal stability of schizorhodopsin discovered from high temperature environment (ISSP, Univ. Tokyo1,PRESTO, JST2) *Yuma Kawasaki1, Masae Konno1,2, Keiichi Inoue1 |
| 13:20-15:00 | 4P059 | The importance of initiation factor 2 in a prokaryotic ribosome as revealed by coarse-grained molecular dynamics simulations (Grad. Sch. Sys. Inf., Kobe Univ.) *Taiga Tanaka, Yoshiharu Mori, Shigenori Tanaka |
| 13:20-15:00 | 4P060 | Synthesis and characterization of charge transfer salts with asymmetric donors using biomass derived molecules (Graduate School of Science and Engineering, Hosei University1,Forestry and Forest Products Research Institute2,Nagaoka University of Technology3) *Masaru Ide1, Yuichiro Otsuka2, Masaya Nakamura2, Eiji Masai3, Hironori Ogata1 |
| 13:20-15:00 | 4P061 | Primary Photoreaction Process in a Light-Driven Inward Proton Pump Schizorhodopsin (Molecular Spectroscopy Laboratory, RIKEN1,The Institute for Solid State Physics, The University of Tokyo2,PRESTO, Japan Science and Technology Agency (JST)3,RIKEN Center for Advanced Photonics (RAP), RIKEN4) *Chun-fu Chang1, Masae Konno2,3, Kei-ichi Inoue2, Tahei Tahara1,4 |
| 13:20-15:00 | 4P062 | Measurement of total internal reflection Raman spectra of phospholipid bilayer membrane and cell-penetrating peptide at silica-water interface (Grad. Sch. of Pure and Appl. Sci., Univ. of Tsukuba1,Grad. Sch. of Eng. Sci., Yokohama Nat. Univ.2) *Arisa Sano1, Masato Kondoh1, Izuru Kawamura2, Taka-aki Ishibashi1 |
| 13:20-15:00 | 4P063 | Elucidation of energy transfer dynamics of phycobilisome at low-temperatures by femtosecond pump-probe and picosecond fluorescence spectroscopies (Graduate School of Science and Technology, Kumamoto University1,RIKEN Spring-8 Center2,The OCU Research Center for Artificial Photosynthesis,Osaka City University3,Institute of Industrial Nanomaterials, Kumamoto University4) *Masatosi Kida1, Yuuma Hirota1, Keisuke Kawakami2, Nobuo Kamiya3, Daisuke Kosumi4 |
| 13:20-15:00 | 4P064 | Analysis of molecular mechanism of general anesthetics by all-atom and coarse-grained molecular dynamics simulations (Grad. Sch. System Informatics, Kobe Univ.) *Shuya Nakata, Yoshiharu Mori, Shigenori Tanaka |
| 13:20-15:00 | 4P065 | High-throughput electronic structure calculations via elongation method and its combination with machine learning (Kyushu Univ.) *Yuuichi Orimoto, Yuriko Aoki |
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| 13:20-15:00 | 4P066 | Development of theoretical method for near-field infrared absorption spectroscopy using a general-purpose quantum chemistry calculation program (Grad. School Chem. Sci. Eng., Hokkaido Univ.1,Fac. Sci., Hokkaido Univ.2,ICReDD, Hokkaido Univ.3) *Teppei Zengyou1, Masato Takenaka1, Takeshi Iwasa2,3, Tetsuya Taketsugu2,3 |
| 13:20-15:00 | 4P067 | Theoretical study on charged state dependence of open-shell electronic structures and optical response properties of fused-ring antiaromatic molecules (Graduate School of Engineering Science, Osaka University1,QIQB, Osaka University2,RCSEC, Osaka University3,ICS, Osaka University4,CSRN, Osaka University5) *Yosuke Shimizu1, Ryohei Kishi1,2,3, Wataru Yoshida1, Masato Ikeuchi1, Jinki Shoda1, Naoki Shirai1, Masayoshi Nakano1,2,3,4,5 |
| 13:20-15:00 | 4P068 | Quantum chemical study on doping and adsorption properties of BP nanosheets. (Yokohama National University) *Hisashi Azusawa, Kota Sato |
| 13:20-15:00 | 4P069 | Photocatalytic activity of TiO2 : analysis by constrained DFT method (Graduate School of Science and Engineering, Ibaraki Univ.) *Hiroto Yoshinari, Tatsuya Joutsuka |
| 13:20-15:00 | 4P070 | Theoretical study of chiral amplification steps of meteoritic amino acids (Graduate School of Science and Technology, Tsukuba Univ.1,Center for Computational Sciences, Tsukuba Univ.2) *Natsuki Watanabe1, Mitsuo Shoji2, Yuta Hori2, Yasuteru Shigeta2 |
| 13:20-15:00 | 4P071 | Effect of electrode potential on the formation process and stability of solid electrolyte interphase film in Li-ion batteries (Graduate School of Informatics, Nagoya Univ.1,Future Value Creation Research Center (FV-CRC)2,Elements Strategy Initiative for Catalysts and Batteries in Kyoto Univ.3) *Tomoyuki Kawase1, Yuichi Tanaka1, Masataka Nagaoka1,2,3 |
| 13:20-15:00 | 4P072 | Development of Doubly-Occupied DMRG-CI method as a Multi-Reference wave function (Tokyo Metropolitan Univ.) *Yutaro Otani, Naoki Nakatani, Masahiko Hada |
| 13:20-15:00 | 4P073 | Theoretical analysis of color tuning mechanism in the monkey green-sensitive visual pigment (Graduate School of Science, Nagoya Univ.1,Graduate School of Engineering, Nagoya Institute of Technology Univ.2,ITbM, Nagoya Univ.3) *Fumika Minowa1, Kota Katayama2, Hideki Kandori2, Kazuhiro Fujimoto1,3, Takeshi Yanai1,3 |
| 13:20-15:00 | 4P074 | Application of replica-exchange method in molecular dynamics analysis of nematic phase transition of 5CB liquid crystal (Graduate School of Engineering Science, Osaka Univ.1,Graduate School of Information Science, University of Hyogo2) *Kengo Takemoto1, Yoshiki Ishii2, Kang Kim1, Nobuyuki Matubayasi1 |
| 13:20-15:00 | 4P075 | Exploration of reaction pathways and kinetic analysis for palladium(0) catalyzed intramolecular cyclization (Faculty of Science and Technology, Keio Univ.1,Department of Pure and Applied Chemistry, Tokyo University of Science.2) *Takayoshi Yoshimura1, Ogiwara Yohei2, Norio Sakai2, Miho Hatanaka1 |
| 13:20-15:00 | 4P076 | [Withdraw] |
| 13:20-15:00 | 4P077 | Analytic gradients for RASPT2 (Graduate School of Science, Kyoto Univ.) *Yoshio Nishimoto |
| 13:20-15:00 | 4P078 | Error estimation of energy expectation in variational quantum eigenvalue method (Graduate School of Science, Kyoto Univ.) *Yuki Oba, Yuki Kurashige |
| 13:20-15:00 | 4P079 | Analysis of photo-deactivation processes of stilbene by Reaction Space Projector analysis (Fac. Sci., Hokkaido Univ.1,WPI-ICReDD, Hokkaido Univ.2) *Takuro Tsutsumi1, Yuriko Ono2, Tetsuya Taketsugu1,2 |
| 13:20-15:00 | 4P080 | Development of surface hopping AIMD method considering spin-orbit coupling effect: An application to XH2 (X=Si, Ge, Sn, Pb) (Graduate school of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2,WPI-ICReDD, Hokkaido Univ3) *Satoi Wada1, Takuro Tsutsumi2, Kenichiro Saita2, Tetsuya Taketsugu2,3 |
| 13:20-15:00 | 4P081 | Theoretical analysis of vibrational spectra of water in hydrophobic hydration shell structures (Graduate School of Science, Tohoku Univ.1,ESICB, Kyoto Univ.2) *Toshimasa Maruoka1, Tomonori Hirano1, Naoya Yazawa1, Akihiro Morita1,2 |
| 13:20-15:00 | 4P082 | Theoretical study of pentacene’s structural isomer models involving five- and seven-membered rings for singlet fission (Graduate School of Engineering Science, Osaka University1,Center for Spintronics Research Network, Graduate School of Engineering Science, Osaka University2,Center for Quantum Information and Quantum Biology, Osaka University3,Innovative Catalysis Science Division, Institute for Open and Transdisciplinary Research Initiatives, Osaka University4,Research Center for Solar Energy Chemistry, Graduate School of Engineering Science, Osaka University5) *Ryota Sakai1, Kenji Okada1, Ryota Sugimori1, Masayoshi Nakano1,2,3,4,5 |
| 13:20-15:00 | 4P083 | [Withdraw] |
| 13:20-15:00 | 4P084 | Theoretical study on the dependences of the open-shell characters and optical response properties of one-dimensional π-stacked open-shell molecular aggregates on the number of molecules and intermolecular configurations (Graduate School of Engineering Science, Osaka University1,CSRN, Osaka University2,QIQB, Osaka University3,ICS, Osaka University4,RCSEC, Osaka University5) *Jinki Shoda1, Ryohei Kishi1,3,5, Masato Ikeuchi1, Yosuke Shimizu1, Naoki Shirai1, Ryosuke Sugiura1, Wataru Yoshida1, Masayoshi Nakano1,2,3,4,5 |
| 13:20-15:00 | 4P085 | A Theoretical Study on Nonoxidative Couplings of Methane to Ethylene inside Coinage-Metal Containing ZSM-5 Zeolites (Kyoto Institute of Technology) *Keigo Oishi, Takashi Yumura |
| 13:20-15:00 | 4P086 | Mechanistic Study on Ammonia Adsorption Process and Alkali Metal Poisoning Resistant in NH3-SCR Reaction by Fe/SO42-/CeO2 Catalysts (Graduate School of Chemical Sci. and Eng., Hokkaido Univ.1,Institute for Catalysis, Hokkaido Univ.2) *Kai Oshiro1, Min Gao2, Jun-ya Hasegawa2 |
| 13:20-15:00 | 4P087 | Efficient parallel calculation of vibrational difference spectra and application to water/electrode surface (Graduate School of Science, Tohoku Univ.1,ESICB, Kyoto Univ.2) *Naoya Yazawa1, Tomonori Hirano1, Akihiro Morita1,2 |
| 13:20-15:00 | 4P088 | Relation between spin polarization and electronic tension density in electrical conduction phenomena (Department of Micro Engineering, Kyoto University, Japan) *Yukihiro Yoshida, Masato Senami |
| 13:20-15:00 | 4P089 | The adsorbent potential and nuclear wave functions of the fullerene with a lithium cation inside (Faculty of Science, Yamagata Univ.1,Faculty of Life Science, Kyushu Sangyo Univ.2) *Junya Horie1, Yoshihide Nakao2, Hideo Ando1 |
| 13:20-15:00 | 4P090 | Investigation on optical properties of TADF molecules (Graduate School of Engineering, Shizuoka Univ.) *Yoshifumi Noguchi |
| 13:20-15:00 | 4P091 | Analysis of electronic state of interferon alpha2 by canonical molecular orbital method (School of Engineering, the Univ. of Tokyo1,IIS, the Univ. of Tokyo2) *Ryota Nakaoka1, Toshiyuki Hirano2, Fumitoshi Sato2 |