Monday, September 21 (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 | 3P001 | [Withdraw] |
|---|---|---|
| 13:20-14:50 | 3P002 | Stability dependence of benzoxazole-amines hydrogen-bonded clusters on solvent molecules (Fukuoka University) *Yuji Yamada, Tomoya Kawao, Marina Tani, Sayaka Urayoshi, Yoshinori Nibu |
| 13:20-14:50 | 3P003 | Rescattered electron-ion coincidence momentum imaging of CO molecules in intense laser fields (Grad. Sch. Science, Nagoya U1,RCMS, Nagoya U2) *Tatsuya Aso1, Daimu Ikeya1, Akiyoshi Hishikawa1,2 |
| 13:20-14:50 | 3P004 | Gas phase spectroscopy of protonated tryptophan water cluster in cold ion trap -Hydration and conformational effects on excited-state relaxation- (School of Life Science and Technology, Tokyo Institute of Technology1,2Laboratory for Chemistry and Life Science, Tokyo Institute of Technology2,School of Science, Tokyo Institute of Technology3,University of Paris-Saclay4,International Research Frontiers Initiative (IRFI), Institute of Innovative Research, Tokyo Institute of Technology5) *Junichi Tabata1,2, Keisuke Hirata2,3,5, Masaaki Fujii1,2,5, Shun-ichi Ishiuchi2,3,5, Gilles Gregoire4,5 |
| 13:20-14:50 | 3P005 | Ion-pair formation from pyridine in absorption of vacuum ultraviolet light (Sophia University1,KEK-IMSS-PF2) *Takeshi Odagiri1, Hayato Imamura1, Mirai Izumida1, Asashi Takamura1, Isao Suzuki h.1,2 |
| 13:20-14:50 | 3P006 | Observation of Ar atom transfer reaction in 4-aminobenzonitrile-Ar cluster by MATI-IR spectroscopy (Facalty of Science, Ochanomizu Univ.1,Graduate School of Science, Ochanomizu Univ.2) *Shino Yukumi1, Ririka Nakajima2, Mitsuhiko Miyazaki2,1 |
| 13:20-14:50 | 3P007 | Infrared spectroscopy of metal ion complexes of a partial peptide of Ca²⁺ ion channel by using electrospray cryogenic ion trap technique (School of Science, Tokyo Institute of Technology, Japan1,Laboratory for Chemistry and Life Science, Tokyo Institute of Technology, Japan2,School of Life Science and Technology, Tokyo Institute of Technology, Japan,3) *Yurika Hayakawa1,2, Keisuke Hirata1,2, Masaaki Fujii2,3, Shun-ichi Ishiuchi1,2 |
| 13:20-14:50 | 3P008 | Infrared spectroscopy of H+(CH3OH)m(C2H5OH)n(m+n=4) mixed clusters : Composition ratio dependence of the hydrogen bond network structures (Graduate School of Science, Tohoku Univ.1,Institute of Atomic and Molecular Sciences2) *Atsuya Mizuide1, Asuka Fujii1, Hsu Po-jen2, Kuo Jer-lai2 |
| 13:20-14:50 | 3P009 | Study on 13C6H6 large clusters by IR spectroscopy (Graduate School of Integrated Science and Technology, Shizuoka Univ.1,Faculty of Science, Shizuoka Univ.2) *Yusuke Ishihara1, Yoshiteru Matsumoto2, Shinnosuke Kawai2 |
| 13:20-14:50 | 3P010 | IR spectroscopy of an Acetylcholine– receptor partial peptide complex by electrospray / cold ion trap technique (Department of Chemistry, Tokyo Institute of Technology1,School of Science Laboratory for Chemistry and Life Science, Tokyo Institute of Technology2) *Hanae Ko1, Keisuke Hirata1, Masaaki Fujii2, Shun-ichi Ishiuchi1 |
| 13:20-14:50 | 3P011 | Direct observation of photo-induced ligand addition by spectroscopic detection of coordinatively unsaturated metal complexes (Graduate School of Advanced Science and Engineering, Hiroshima Univ.) *Misato Haze, Yuuka Okuda, Katsuyoshi Yamasaki, Hiroshi Kohguchi |
| 13:20-14:50 | 3P012 | Structures and photoisomerization processes of cyanine dyes investigated by photodissociation spectroscopy (Graduate School of Advanced Science and Engineering, Hiroshima Univ.) *Takayuki Tokizane, Satoru Muramatsu, Yoshiya Inokuchi |
| 13:20-14:50 | 3P013 | Machine Learning of the branching ratios for protonated formic acid dissociation reaction (Graduate School of Science and Engineering, Saitama Univ.1,Faculty Science, Saitama Univ.2) *Shunichi Ibuki1, Yu Hashimoto1, Naoki Matsumoto2, Yuya Kikuma2, Tatsuhiro Murakami1, Toshiyuki Takayanagi1 |
| 13:20-14:50 | 3P014 | Rotational spectroscopy of the Kr dimer by Coulomb explosion imaging (School of Science, Kitasato University1,School of Science, Tokyo Institute of Technology2) *Eri Kakizaki1, Kenta Mizuse1,2, Urara Sato1, Yuya Tobata2, Haruki Ishikawa1, Yasuhiro Ohshima2 |
| 13:20-14:50 | 3P015 | Molecular diffusion process of aryl ketones by transient grating method (Graduate School of Science and Engineering, Aoyama Gakuin Univ.) *Sotaro Hiramoto, Wataru Kashihara, Tadashi Suzuki |
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| 13:20-14:50 | 3P016 | DNA damage induced by a femto-second laser filament in water (Institute for Quantum Life Science, QST1,Kansai Photon Science Institute, QST2,Tohoku Univ.3) Ken Akamatsu1, *Tomoyuki Endo2, Hiroshi Akagi2, Hirohiko Kono3, Ryuji Itakura2 |
| 13:20-14:50 | 3P017 | Hyper-Raman study of nonlocal modes of liquid water (Graduate School of Arts and Sciences, Univ. of Tokyo) *Tenri Morimoto, Masanari Okuno |
| 13:20-14:50 | 3P018 | Recombination dynamics of cation-electron pairs produced by multiphoton ionization : correlation between electron mobility and distribution of interionic distance (Graduate School of Engineering Science, Osaka Univ.) *Tomoya Sawada, Hikaru Sotome, Hiroshi Miyasaka |
| 13:20-14:50 | 3P019 | Multiphoton ionization dynamics of a benzidine derivative in solution (Graduate School of Engineering Science, Osaka Univ.) *Yuya Hirata, Tomoya Sawada, Hikaru Sotome, Hiroshi Miyasaka |
| 13:20-14:50 | 3P020 | Anion effect on the excited-state intramolecular proton transfer reaction of 4-N,N-diethylamino-3-hydroxyflavone in ionic liquids. (Graduate School of Science and Engineering, Doshisha Univ.1,Faculty of Science and Engineering, Doshisha Univ.2) *Shonosuke Nomura1, Erika Kinoshita2, Kaori Fujii2, Takatsugu Endo2, Yoshifumi Kimura2 |
| 13:20-14:50 | 3P021 | 5.5-fs pulse generation by two-step pulse compression and its application for time-resolved 2D-electron spectroscopy (QST KPSI1,QST iQLS2) Masaaki Tsubouchi1, Nobuhisa Ishii1, Motoyasu Adachi2, *Ryuji Itakura1 |
| 13:20-14:50 | 3P022 | Measurement of Akalumine absorption in North American firefly luciferase environment (Graduate School of Science and Technology, Gunma Univ.1,Institute for Solid State Physics, The Univ. of Tokyo2,Department of Applied Chemistry and Biochemical Engineering, Graduate School of Engineering, Shizuoka Univ.3,Department of Engineering Science, Graduate School of Informatics and Engineering, The Univ. of Electro-Communications4,Center for Neuroscience and Biomedical Engineering (CNBE), The Univ. of Electro-Communications5,Department of Chemical and Biological Sciences, Faculty of Science, Japan Woman's Univ.6,Gunma University Center for Food Science and Wellness7) *Keita Osawa1, Ryohei Ono1,2, Yoshifumi Noguchi3, Nobuo Kitada4,5, Ryohei Saito-moriya4,6, Takashi Hirano4, Shojiro A. Maki4,5, Hidefumi Akiyama2, Masataka Kobayashi2, Hideyuki Itabashi1,7, Miyabi Hiyama1,7 |
| 13:20-14:50 | 3P023 | Investigation of excited states of double-stranded DNA by picosecond time-resolved fluorescence spectroscopy (Faculty of Science Gakushuin Univ) *Ryo Shinohara, Akira Takakado, Koichi Iwata |
| 13:20-14:50 | 3P024 | Analyses of structure and molecular vibrations of 9-phenylanthracene in the lowest excited singlet state based on isotope shifts of near-infrared nanosecond transient Raman bands (Graduate School of Science and Engineering, Aoyama Gakuin University1,Faculty of Science and Engineering, Chuo University2) *Yuka Yoshizawa1, Hiroki Sato1, Rintaro Shimada1, Hajime Okajima2, Akira Sakamoto1 |
| 13:20-14:50 | 3P025 | Effect of various ionic liquid ions on molecular organization and structural fluctuation of water (Graduate School of Science, Chiba Univ.1,British Columbia Univ.2) *Natsumi Sonobe1, Midori Matsushita1, Yoshikata Koga2, Takeshi Morita1 |
| 13:20-14:50 | 3P026 | Initial bond-cleavage process of bis(phenoxyl-imidazolyl radical complex) derivatives (College of Life Sciences, Ritsumeikan Univ.1,Science and Engineering, Aoyama Gakuin Univ.2) *Tomoya Seri1, Katsuya Mutoh2, Jiro Abe2, Yoichi Kobayashi1 |
| 13:20-14:50 | 3P027 | Syntheses and physical properties of mixed-stacked charge-transfer complexes based on 5,11-dimethylindolo[3,2-b]carbazole (Graduate School of Science, Tohoku Univ.1,Graduate School of Engineering, Nagoya Univ.2) *Yuta Chiba1, Shohei Koyama1, Shinya Takaishi1, Ryota Sakamoto1, Hiroaki Iguchi2 |
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| 13:20-14:50 | 3P028 | Crystal structure and luminescent property of trinuclear lanthanide complex with dipodal Schiff base (Graduate School of Sciences and Technology for Innovation, Yamaguchi University1,Graduate School of Environmental Studies, Tohoku University2) *Atsuko Suzuki1, Mako Komatsu2, Naoki Mashiko2, Ryunosuke Karashimada2, Ryo Tsunashima1, Nobuhiko Iki2 |
| 13:20-14:50 | 3P029 | Synthesis and Properties of Elastic Naphthalenediimide Polymers with Hydrogen Bonding Moieties (Tokyo Institute of Technology1,The University of Tokyo2,JASRI3) *Katsuki Yaginuma1, Minoru Ashizawa1, Naoji Matsuhisa2, Hiroyasu Masunaga3, Noboru Ohota3, Hidetoshi Matsumoto1 |
| 13:20-14:50 | 3P030 | Comparison of electronic states of conducting Ni(dmit)2 complexes before and after solid-state ion exchange (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,CResCent, Hiroshima Univ.2,IAMR, Hiroshima Univ.3,IMRAM, Tohoku Univ.4,RIES, Hokkaido Univ.5,PRESTO, JST6) *Daisuke Ishikawa1, Masaru Fujibayashi1, Goulven Cosquer1,2, Katsuya Inoue1,2,3, Takehiro Hirao1, Takeharu Haino1,2, Tomoyuki Akutagawa4, Takayoshi Nakamura5, Sadafumi Nishihara1,2,3,6 |
| 13:20-14:50 | 3P031 | The Effect of Delocalized π-Electron on the Charge Storage of Conjugated Metal-Organic Framework (Graduate School of Science, Nagoya Univ.1,Research Center for Materials Science, Nagoya Univ.2) *Qi Chen1, Zhongyue Zhang1,2, Kunio Awaga1 |
| 13:20-14:50 | 3P032 | Synthesis of arylphosphonic acids coordinated lacunary preyssler- type polyoxometalates (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,CResCent, Hiroshima Univ.2,IAMR, Hiroshima Univ.3,JST, PRESTO4) *Hiroto Kaitori1, Masaru Fujibayashi1, Chisato Kato1, Goulven Cosquer1,2, Katsuya Inoue1,2,3, Sadafumi Nishihara1,2,3,4 |
| 13:20-14:50 | 3P033 | Temperature-controlled consecutive reactions in multi-dimensional transformation system (Graduate School of Science, Kyoto Univ.1,School of Medicine, Nihon Univ.2,Japan Synchrotron Radiation Research Institute, SPring-83) *Yao Jing1, Yukihiro Yoshida1, Tokutaro Komatsu2, Shintaro Kobayashi3, Shogo Kawaguchi3, Hiroshi Kitagawa1 |
| 13:20-14:50 | 3P034 | Spectroscopic Research of Shear Stress Effect on Crystal Violet Lactone (Grd. Sch. Eng., Sanyo-Onoda City Univ.1,Fac. Eng., Sanyo-Onoda City Univ.2,Nat. Inst. Tech., Wakayama College3) *Seiya Hattori1, Hayana Takagaki2, Nobutsugu Hamamoto2, Makoto Inokuchi1,2, Yusuke Funasako3 |
| 13:20-14:50 | 3P035 | Evaluation of size-dependence of magnesium ion conductivity in metal–organic frameworks (Graduate School of Science, Tokyo University of Science) *Takahiro Erikawa, Masaaki Sadakiyo |
| 13:20-14:50 | 3P036 | Development of thermal conductivity measurement system for small crystals and research on physical properties of layered organic molecules (Graduate School of Science, Osaka Univ.) *Luming Zhang, Yasuhiro Nakazawa, Hiroki Akutsu, Satoshi Yamashita |
| 13:20-14:50 | 3P037 | Electronic Structure Modification of Atomic Layer Superconductor TlPb Induced by Highly-Correlated Molecule CoTTDPz (Nagoya Univ.1,JST PRESTO2,Osaka Univ.3) *Saki Yamauchi1, Rie Suizu1,2, Shunsuke Inagaki3, Yuichiro Toichi3, Ryota Itaya3, Kazuyuki Sakamoto3, Kunio Awaga1 |
| 13:20-14:50 | 3P038 | fluorine-substituted Birhodanines for air-stable n-channel organic transistors (Tokyo Tech) *Junhao Feng, Ryuu Nishikawa, Yuuji Sumimoto, Tadashi Kawamoto, Takehiko Mori |
| 13:20-14:50 | 3P039 | Synthesis and physical properties of molecular conductors based on TTP derivatives with diisopropyl groups (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) *Shota Aono1, Kento Suzuki1, Takashi Shirahata1,2, Yohji Misaki1,2 |
| 13:20-14:50 | 3P040 | Anion dependence of photo response in dielectric permittivity of linkage isomerization of nitrite complex (Graduate School of Sciences and Technology for Innovation, Yamaguchi University) *Shinkiro Chinen, Atsuko Suzuki, Ryo Tsunashima |
| 13:20-14:50 | 3P041 | Theoritical study on charge separate process in excitons in non-fullerene organic solar cells (Graduate School of Science, Japan Women's Univ.) *Yuzuka Minami, Sumire Ikeyama, Azusa Muraoka |
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| 13:20-14:50 | 3P042 | Combinatorial synthesis of diglycolamide based ligands and infrared absorption spectroscopy of the lanthanide complexes (Graduate School of Advanced Science and Engineering, Hiroshima University) *Kosuke Okudera, Satoru Muramatsu, Takehiro Hirao, Takeharu Haino, Yoshiya Inokuchi |
| 13:20-14:50 | 3P043 | Reaction of water on Pt(533) induced by hydrogen atom exposure (Dep. of Chem., Graduate School of Science, Kyoto Univ.) *Erika Kinoshita, Ichihiko Tsuchiya, Naoki Nagatsuka, Kazuya Watanabe |
| 13:20-14:50 | 3P044 | Salt-assisted pyrolysis of covalent organic framework for controlled active nitrogen functionalities for oxygen reduction reaction (Department of Chemistry, Graduate School of Science, Nagoya University1,Integrated Research Consortium on Chemical Science (IRCS) Nagoya University2,Shanghai University, Department of Chemical Engineering3,Department of Applied Chemistry, Meijo University4) *Youn Charles-blin1,2, Taiga Kondo1,2, Shunto Aoki1,2, Yang Wu3, Shunji Bandow4, Kunio Awaga1,2 |
| 13:20-14:50 | 3P045 | Vibrational sum frequency generation study of supramolecular structures of melamine derivative monolayers on barbituric acid solution at various concentrations (Graduate School of Science and Technology, University of Tsukuba1,WPI-MANA, NIMS2,Graduate School of Frontier Sciences, The University of Tokyo3) *Shuhei Yamada1, Katsuhiko Ariga2,3, Taka-aki Ishibashi1 |
| 13:20-14:50 | 3P046 | Recent progress of heterodyne-detected vibrational sum-frequency generation spectroscopy at toluene/water interface (Faculty of Science, Tokyo Univ. Sci.1,WaTUS, Tokyo Univ. Sci.2) *Shuhei Urashima1,2, Atsushi Kitamura1, Hiroharu Yui1,2 |
| 13:20-14:50 | 3P047 | Investigating contribution of radical unit to molecular conductance with STM apparent height measurement (Graduate School of Engineering, Kyoto Univ.) *Ryuto Yasui, Daiki Shimizu, Kenji Matsuda |
| 13:20-14:50 | 3P048 | Operando analyses of interfacial electronic states of electric double-layer organic FET with ionic liquids and a p-type organic semiconductor by attenuated total reflectance spectroscopy (Graduate School of Engineering Science, Osaka Univ.1,Graduate School of Science, Rikkyo Univ.2,Graduate School of Frontier Sciences, Univ. of Tokyo3,Institute of Molecular Science4) *Yuichiro Hanamori1, Ichiro Tanabe2, Shohei Kumagai3, Toshihiro Okamoto3, Eiken Nakamura4, Naonori Kondo4, Kiyohisa Tanaka4, Junichi Takeya3, Satoshi Kera4, Ken-ichi Fukui1 |
| 13:20-14:50 | 3P049 | Estimation of the hole injection barrier at a Au/C8-BTBT interface using accumulated charge measurement. (Graduate School of Science, University of Hyogo1,Department of Chemistry, Konan University2) *Koji Yamaguchi1, Tomofumi Kadoya2, Hiroyuki Tajima1 |
| 13:20-14:50 | 3P050 | Sum-Frequency Generation Spectroscopic Measurement of Water at an Electrode/Electrolyte Interface using In-situ Referencing Method (RIKEN1,RAP2) *Satoshi Nihonyanagi1,2, Tahei Tahara1,2 |
[Clusters/particles/nanostructures]
| 13:20-14:50 | 3P051 | Development of ion trap ion mobility spectrometer with controlled gas flow (Department of Chemistry, Toho University1,No affiliation2) *Shoma Miyanishi1, Kanata Oguri2, Toshiki Sugai1 |
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| 13:20-14:50 | 3P052 | Infrared emission spectra of fullerene thin films (Departiment of Chemistry, Kindai Univ.1,Department of Chemistry, Keio Univ.2,Center for Basic Education, Kanagawa Institute of Technology3) *Tomonari Wakabayashi1, Koki Nakano1, Kazuki Wakebe1, Miho Hatanaka2, Takeshi Kodama3 |
| 13:20-14:50 | 3P053 | Triplet sensitization and photon upconversion by ligand-protected PtAg24 clusters (Graduate School of Science, Rikkyo Univ.) *Yamato Arai, Taishi Shibuya, Yoshiki Niihori, Masaaki Mitsui |
| 13:20-14:50 | 3P054 | Compositional dependence of structures and hydrogen evolution reaction activity of platinum-group-metal quinary alloy nanoparticles (Grad. Sch. Sci., Kyoto Univ.1,Hakubi Center, Kyoto Univ.2,JST-PRESTO.3,URC, Kyushu Univ.4,Grad. Sch. Eng., Kyushu Univ.5,JASRI/SPring-86,Grad. Sch. Sci., Osaka Metro. Univ.7) *Yuto Maruta1, Kohei Kusada1,2,3, Dongshuang Wu1, Tomokazu Yamamoto4, Takaaki Toriyama4, Syo Matsumura4,5, Okkyun Seo6, Satoshi Yasuno6, Osami Sakata6, Shogo Kawaguchi6, Yoshiki Kubota7, Hiroshi Kitagawa1 |
| 13:20-14:50 | 3P055 | Effects of polymer molecular weight on the solid-solution-type gold/platinum nanoparticle synthesis using the fusion growth method and its growth mechanism (Graduate School of Science, Chiba Univ1,Graduate School of Engineering, Utsunomiya Univ2) *Shun Terauchi1, Tomoki Kayama1, Shunki Ogawa1, Takehisa Konishi1, Nobuo Uehara2, Takeshi Morita1 |
| 13:20-14:50 | 3P056 | Development of Ion Mobility Spectrometer with Charged Detector (Department of Chemistry, Toho University1,No affiliation2) *Kisuke Tsunemi1, Tomoya Ono2, Toshiki Sugai1 |
| 13:20-14:50 | 3P058 | Observation of molecular adsorption on the droplet interface by millisecond time-resolved fluorescence spectroscopy (Graduate School of Gakushuin Univ.) *Taka Kurasawa, Hiroya Asami, Junya Kohno |
| 13:20-14:50 | 3P059 | Photoelectron imaging of Sc-doped silver cluster anions (Department of Chemistry, Faculty of Science, Kyushu University) *Haruki Hashimoto, Kento Minamikawa, Tasuku Nishizato, Kazuaki Matsumoto, Masashi Arakawa, Takuya Horio, Akira Terasaki |
| 13:20-14:50 | 3P060 | Catalytic activity of copper nanoparticles formed in pores of zeolite for alcohol oxidation. (Faculty of Science and Engineering , Chuo University1,Faculty of Science and Engineering , Chuo University2) *Harunobu Iwatsuki1, Hukasi Igiti2, Kenta Takaoka1, Syunya Sakane1, Hideki Tanaka1 |
| 13:20-14:50 | 3P061 | Micromechanical motion of microparticles using radiation pressure induced by stimulated emission of organic dye molecules (Graduate School of Engineering Science, Osaka University) Takato Mizoguchi, Masato Mori, Shunsuke Okamoto, *Syoji Ito, Hikaru Sotome, Hiroshi Miyasaka |
| 13:20-14:50 | 3P062 | Vertical detachment energies of silver cluster anions evaluated by Koopmans’ theorem: Improvement of the accuracy by long-range corrected density functional theory (Department of Chemistry, kyushu Univ.) *Kazuaki Matsumoto, Tasuku Nishizato, Haruki Hashimoto, Kento Minamikawa, Masashi Arakawa, Takuya Horio, Akira Terasaki |
| 13:20-14:50 | 3P063 | Photoredox catalysis by ligand-protected gold-based superatom MAu12: effects of dopant M and ligands (Graduate School of Science, The University of Tokyo1,Elements Strategy Initiative for Catalysis and Batteries, Kyoto University2) *Haru Hirai1, Shinjiro Takano1, Tatsuya Tsukuda1,2 |
| 13:20-14:50 | 3P064 | Calcium binding to TAT rhodopsin (Graduate School of Engineering, Nagoya institute of technology) *Teppei Sugimoto, Kota Katayama, Hideki Kandori |
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| 13:20-14:50 | 3P065 | Eluation of structural change of an ancestral globin-fold protein (1Grad. Sch. Sci., Osaka Univ.) *Yu Iritani, Haruto Ishikawa, Misao Mizuno, Yasuhisa Mizutani |
| 13:20-14:50 | 3P066 | Structural complexity and dynamics in GPCRs revealed by vibrational spectroscopy (Grad. Sch. Eng., Nagoya Inst. Tech.1,Kansai.Med.Univ2) *Kota Katayama1, Kohei Suzuki1, Ryoji Suno2, Hideki Kandori1 |
| 13:20-14:50 | 3P067 | Theoretical analysis on the mechanism of H/D kinetic isotope effect on deuterated drug (Graduate School of Advanced Science and Engenering) *Taichi Mitani, Yusuke Kanematsu, Takayoshi Ishimoto |
| 13:20-14:50 | 3P068 | Label-free observation of chromocenter in nucleus of a living cell using Raman microscopy (Graduate School of Pharmaceutical Sciences, Tohoku Univ.1,GIAR, Gunma Univ.2,QST3,JST PRESTO4) *Masato Machida1, Atsushi Shibata2, Kentaro Fujii3, Shinji Kajimoto1,4, Takakazu Nakabayashi1 |
| 13:20-14:50 | 3P069 | Combining Bayesian optimization and reaction barrier calculation toward reducing the number of synthetic experiments: numerical experiments using an extensive reaction barrier dataset of Claisen rearrangement (Grad School of Chem Sci and Eng, Hokkaido Univ.1,Department of Chem, Grad School of Sci, Hokkaido Univ.2,Hokkaido Univ. WPI-ICReDD3,JST-ERATO4) *Hiroaki Okada1, Satoshi Maeda2,3,4 |
|---|---|---|
| 13:20-14:50 | 3P070 | Enhanced implementation of semi-empirical molecular-orbital method towards large-scale calculation (Graduate School of Science, Nagoya Univ.) *Ayumu Inaba, Kazuhiro Fujimoto, Takeshi Yanai |
| 13:20-14:50 | 3P071 | Theoretical Study on Electronic Structures of Neutral Complexes of Low-Valent Group 14 Elements (C, Si, Ge) Based on β-Diketiminate 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) *Chihiro Nakasuji1, Ryohei Kishi1,2,3,4, Yasutaka Kitagawa1,2,3,4,5 |
| 13:20-14:50 | 3P072 | [Withdraw] |
| 13:20-14:50 | 3P073 | [Withdraw] |
| 13:20-14:50 | 3P074 | Reactivity of Triamidoamine Vanadium(III) and Chromium(III) in N2 Fixation Process (Nagoya Inst. Tech.1,Gifu Univ.2,Aichi Inst. Tech.3) *Yuko Wasada-tsutsui1, Hiroaki Wasada2, Yoshiaki Kokubo3, Hideki Masuda1,3, Yuji Kajita3 |
| 13:20-14:50 | 3P075 | Quantum computing of Hückel molecular orbitals of π-electron molecules (School of Science, The University of Tokyo) *Ryuhei Yoshida, Erik Lötstdet, Kaoru Yamanouchi |
| 13:20-14:50 | 3P076 | All-atom Simulation of Reversible Chain Transfer Polymerization of (Pyridylamido)Hf and Bis(phenoxy-imine)Zr: Catalyst Structure and its Effect on Reactivity (Graduate School if Informatics, Nagoya Univ.1,Future Value Creation Research Center, Nagoya Univ.2) *Masaya Fujita1, Katuhisa Yasosima1, Yuichi Suzuki1, Yuichi Tanaka1, Nobuaki Koga1,2, Masataka Nagaoka1,2 |
| 13:20-14:50 | 3P077 | Theoretical study on relationship between aromaticity, open-shell character and stabilization energy in π-stack aggregates composed of antiaromatic molecules (Graduate School of Engineering Science, Osaka University,1,QIQB, Osaka University2,RCSEC, Osaka University3,ICS-OTRI, Osaka University4,CSRN, Osaka University5) *Ryota Sugimori1, Masato Ikeuchi1, Ryohei Kishi1,2,3,4, Yasutaka Kitagawa1,2,3,4,5 |
| 13:20-14:50 | 3P078 | Shift currents from first-principles calculations for perovskite solar cell materials (Graduate School of Bionanoscience) *Koichi Yamashita, Masanori Kaneko |
| 13:20-14:50 | 3P079 | Theoretical study on vibronic couplings of excited states related to singlet fission process in aggregates composed of bowl-shaped π-conjugated molecules (Graduate School of Engineering Science, Osaka Univ.1,RCSEC, Osaka Univ.2,QIQB, Osaka Univ.3,ICS-OTRI, Osaka Univ.4,CSRN, Osaka Univ.5) *Kenji Okada1, Ryohei Kishi1,2,3,4, Yasutaka Kitagawa1,2,3,4,5 |
| 13:20-14:50 | 3P080 | Development of coarse grained protein model to include an environment-driven conformational change (Graduate School of Natural Science, Okayama Univ.1,Research Institute for Interdisciplinary Science, Okayama Univ.2) *Teppei Yamada1, Wataru Shinoda2 |
| 13:20-14:50 | 3P081 | Nonadiabatic intersystem crossing dynamics based on adiabatic and diabatic potentials: Application to XH2 (X=Si, Ge, Sn, Pb) (Graduate school of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2,L-Station, Hokkaido Univ.3,WPI-ICReDD, Hokkaido Univ.4) *Satoi Wada1, Takuro Tsutsumi2,3, Kenichiro Saita2, Tetsuya Taketsugu2,4 |
| 13:20-14:50 | 3P082 | Theoretical Insight into Metal-Complex-Catalyzed Direct Decomposition of Nitric Oxide (IMCE, Kyushu Univ.) *Yohei Kametani, Yoshihito Shiota, Kazunari Yoshizawa |
| 13:20-14:50 | 3P083 | Constructing phase transition path network for molecular crystal by AFIR : an application to benzene crystal (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2,WPI-ICReDD3,JST-ERATO4,NIMS5) *Shoya Kondo1, Taisuke Hasegawa2, Satoshi Maeda2,3,4,5 |
| 13:20-14:50 | 3P084 | Prediction of Excitation Energies of Cerium Complexes by Machine Learning (Graduate School of Science and Technology, Keio Univ.) *Kosuke Kariya, Taichi Inagaki, Miho Hatanaka |
| 13:20-14:50 | 3P085 | First principle simulation of multi electrons using real quantum computer (Graduate School of Engineering, Tokyo Univ.1,IBM2) *Hiroki Gi1, Yuki Orimo1, Kenichi Ishikawa1, Yukio Kawashima2, Tanvi Gujarati2, Takeshi Sato1 |
| 13:20-14:50 | 3P086 | Theoretical Study of Effects of the Number of Molecules on Electronic Structures of Condensed-π-Stacked Antiaromatic Molecular Aggregates (Graduate School of Engineering Science, Osaka Univ1,CSRN, Osaka Univ2,QIQB, Osaka Univ3,RCSEC, Osaka Univ4,ICS-OTRI, Osaka Univ5) *Masato Ikeuchi1, Ryota Sugimori1, Ryohei Kishi1,3,4,5, Yasutaka Kitagawa1,2,3,4,5 |
| 13:20-14:50 | 3P087 | Free Energy Profile Analysis of the Helix Inversion Process of a Triskelion-Shaped Molecule (Chiba Institute of Technology1,kitasato University2) *Yuki Oba1, Nao Yanagi1, Masafumi Ueda2, Norifumi Yamamoto1 |
| 13:20-14:50 | 3P088 | Stability Dependence on the sequence of unbranched (HF)₃(H₂O)₃ (Nagasakinishi High School1,Graduate School of Engineering, Nagasaki University2,Faculty of Regional Studies, Gifu University,3,None4) Iwamoto Takahiro1, Tsuruta Naoya1, *Tsuzuki Shin1, Ota Itsuki1, Sako Tomoaki1, Hara Yuri1, Hayashi Ryusei1, Morisaki Shinosuke1, Gondoh Yoshinobu1, Noguchi Daisuke2,1, Hashimoto Tomohiro3, Iwata Suehiro4 |
| 13:20-14:50 | 3P089 | Simulating implementation of electronic state calculation to spin qubits of NV centers by optimal control theory: Decoherence effects (Graduate School of Science, Tohoku Univ.) *Suicho Mikami, Yukiyoshi Ohtsuki |
| 13:20-14:50 | 3P090 | [Withdraw] |
| 13:20-14:50 | 3P091 | Quantum computing of linear polyenes and its application to probing qubit performance (DIC Corporation1,School of Science, The University of Tokyo2) *Yoshinori Ato1, Yutaka Tachikawa1, Ryuhei Yoshida2, Erik Lötstedt2, Kaoru Yamanouchi2 |
| 13:20-14:50 | 3P092 | Theoretical analysis of pericyclic reaction with multi-furcation pathways based on reduced-dimensionality reaction space (Sch. Sci., Hokkaido Univ.1,Fac. Sci., Hokkaido Univ.2,L-Station, Hokkaido Univ.3,WPI-ICReDD, Hokkaido Univ.4) *Keita Mataki1, Takuro Tsutsumi2,3, Yuriko Ono4, Tetsuya Taketsugu2,4 |
| 13:20-14:50 | 3P093 | Systematic evaluation of the effect of radical substituents on the open-shell characters of molecules using quantum chemical calculations. (Graduate School of Engineering, Kyoto Univ.) *Tomohito Shinozuka, Daiki Shimizu, Kenji Matsuda |
| 13:20-14:50 | 3P094 | Correction method for the wavefunctions in the variational quantum eigensolver (Graduate School of Science and Technology, Keio Univ.1,Quantum Computing Center, Keio Univ.2,IBM Research - Tokyo3,Mitsubishi Chemical Corporation, Science & Innovation Center4) *Shigeki Gocho1,2, Hajime Nakamura2,3, Qi Gao2,4, Takao Kobayashi2,4, Taichi Inagaki1,2, Miho Hatanaka1,2 |
| 13:20-14:50 | 3P095 | Theoretical study of OCS fragmentation by double ionization with reaction path exploration and dynamics effects (Sch. Sci., Hokkaido Univ.1,Fac. Sci., Hokkaido Univ.2,L-Station, Hokkaido Univ.3,Fac. Arts Sci., Kyushu Univ.4,Dep. Mol. Mat. Sci., Kyushu Univ.5,WPI-ICReDD, Hokkaido Univ.6) *Ryuto Kambara1, Takuro Tsutsumi2,3, Kenji Furuya4,5, Tetsuya Taketsugu2,6 |
| 13:20-14:50 | 3P096 | Theoretical Study on Electronic Structures of π-Dimers of Antiaromatic Molecules: Orbital- and Configuration-Interaction-Based Analyses (Graduate School of Engineering Science, Osaka Univ.1,QIQB, Osaka Univ.2,ICS-OTRI, Osaka Univ.3,RCSEC, Osaka Univ.4,CSRN, Osaka Univ.5) *Ryohei Kishi1,2,3,4, Kenji Okada1, Ryota Sugimori1, Masato Ikeuchi1, Yasutaka Kitagawa1,2,3,4,5 |
| 13:20-14:50 | 3P097 | Theoretical prediction of MLCT excited-states of iron complexes (Graduate School of Science, Kyoto University) *Takumi Yoshida, Yuki Kurashige |
| 13:20-14:50 | 3P098 | Multireference Theory for Prediction of Zero Field Splitting Parameters of Porphyrin (Graduate School of Science, Kyoto University) *Katsuki Miyokawa, Yuki Kurashige |