Saturday, September 19 (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 | 1P001 | Development of vibrational wave-packet control using non-resonant laser-pulse-induced Raman transitions (Graduate School of Science, Tohoku University1,Nara Institute of Science and Technology2,Institute for Molecular Science3,The Graduate University for Advanced Studies (SOKENDAI)4) *Reon Ishii1, Tomotaro Namba1, Yukiyoshi Ohtsuki1, Hiroyuki Katsuki2, Kenji Ohmori3,4 |
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| 13:20-14:50 | 1P002 | Conformations of dibenzo-24-crown-8 complex with diverse metal ions studied by cryogenic ion mobility-mass spectrometry (Graduate School of Science, Tohoku Univ.) *Xi He, Fuminori Misaizu, Keijiro Ohshimo |
| 13:20-14:50 | 1P003 | Development and evaluation of a new light source for generating highly excited rotational states (Graduate School of Arts and Sciences, Univ. of Tokyo1,Komaba Institute for Science, Univ. of Tokyo2) *Ryosuke Torii1, Mayu Negishi1, Satoaki Iwasawa1, Shinichi Fukahori1,2, Hirokazu Hasegawa1,2 |
| 13:20-14:50 | 1P004 | Microsolvation effects on conformational isomerization of dimethyl disulfide anion (IEHE, Tohoku Univ.1,Graduate School of Science, Tohoku Univ.2,Faculty of Science, Tohoku Univ.3) *Toshihiko Maeyama1,2, Hibiki Sugawara3, Asuka Fujii2 |
| 13:20-14:50 | 1P005 | Photochemical reactions of ozone-propylene sulfide complex (BASE TUAT) *Hisashi Mitsuoka, Nobuyuki Akai |
| 13:20-14:50 | 1P006 | Cold ion trap infrared spectroscopy of protonated benzocaine －Solvent dependence of protomer switching－ (School of Life Science and Technology, Tokyo Institute of Technology1,Laboratory for Chemistry and Life Science, Tokyo Institute of Technology2,School of Science, Tokyo Institute of Technology3,School of Science, Kitasato University4,Institute of Innovative Research IRFI, Tokyo Institute of Technology5) *Kyota Akasaka1,2, Akira Sano2,4, Haruki Ishikawa4, Keisuke Hirata2,3, Shun-ichi Ishiuchi2,3, Masaaki Fujii1,2,5 |
| 13:20-14:50 | 1P007 | Fluorescence spectra of 2-(4-methoxyphenyl)ethanol in a supersonic jet (Graduate School of Science and Engineering, Aoyama Gakuin Univ.) *Hironari Nagasawa, Wataru Kashihara, Tadashi Suzuki |
| 13:20-14:50 | 1P008 | High-resolution spectroscopy of acetaldehyde using a single-mode UV laser (Graduate School of Science, Kobe Univ.1,MPRC, Kobe Univ.2) *Rin Taniguchi1, Kosuke Nakajima1, Akira Shimizu1, Shunji Kasahara2, Masaaki Baba2 |
| 13:20-14:50 | 1P009 | Structure analysis of reaction products of acetylene with acetylene ion using ion mobility/mass spectrometer (Graduate School of Science, Osaka Prefecture Univ.) *Kenichi Iwamoto, Genki Inoue, Ryousuke Nakai |
| 13:20-14:50 | 1P010 | Six-dimensional model calculations and wave-packet observation of intermolecular vibration in the benzene-CH4 van der Waals complex (School of Science, Tokyo Institute of Technology) *Toru Sasaki, Masaaki Nakamura, Yasuhiro Ohshima |
| 13:20-14:50 | 1P011 | Photochemical products of isothiazole isolated in low-temperature matrix (Department of Natural Sciences, Tokyo Denki Univ.) *Jun Miyazaki |
| 13:20-14:50 | 1P012 | Effects of solvent molecules on the S-π hemibond: infrared spectroscopy of (benzene-H2S-Xn)+, X=H2O (n=1, 2), CH3OH (n=1) (Gaduate School of Science, Tohoku University) *Takeru Kato, Asuka Fujii |
| 13:20-14:50 | 1P013 | Temperature dependence of microscopic hydrogen bond structures of hydrated phenol cations: Search for double-ring structure (Graduate School of Science, Kitasato University1,School of Science, Kitasato University2) *Masatoshi Moto1, Kenta Mizuse2, Haruki Ishikawa2 |
| 13:20-14:50 | 1P014 | Gas-phase spectroscopy of reaction intermediates in photoallylation reaction of dicyanobenzene in solution: effect of substituent position on the reaction mechanism (Department of Advanced Science and Engineering, Hiroshima University, Japan) *Ryosuke Goda, Satoru Muramatsu, Yoshiya Inokuchi |
| 13:20-14:50 | 1P015 | Synthesis and spectroscopic properties of anthracene dimers for efficient singlet fission (Faculty of Science and Technology, Keio Univ.) *Ryo Hayasaka, Hayato Sakai, Taku Hasobe |
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| 13:20-14:50 | 1P016 | Photo-bleaching of firefly bioluminescence substrate (Graduate School of Science and Technology, Gunma Univ.1,Institute for Solid Physics, The University of Tokyo2,Gunma University Center for Food Science and Wellness3) Ryo Kumagai1, Ryohei Ono1,2, Hidefumi Akiyama2, Hideyuki Itabashi1,3, *Miyabi Hiyama1,3 |
| 13:20-14:50 | 1P017 | Synthesis and photophysical properties of perylenediimide dimers with highly controlled molecular orientations (Faculty of Science and Technology, Keio Univ.) *Takumi Oneda, Hayato Sakai, Taku Hasobe |
| 13:20-14:50 | 1P018 | Determining Viscosity by Machine Learning: Toward Understanding Water-Alcohol Mixtures (Nihon Univeristy, College of Humanities and Sciences, Department of Physics) *Souma Inagaki, Ken Judai |
| 13:20-14:50 | 1P019 | Dissolution behavior and complex formation of diltiazem and non-steroidal anti-inflammatory drugs (NSAIDs) as assessed by diffusion coefficient (Graduate School of Pharmacy, Tokyo University of Science.) *Ryotaro Koga, Takatoshi Kinoshita, Hikaru Kataoka, Takehisa Wanawa, Satoru Goto |
| 13:20-14:50 | 1P020 | Shallow and deep trap states of solvated electrons in methanol (Graduate School of Science, Kyoto Univ.1,Department of Chemistry, University of Zurich2) Jinggang Lan2, *Yo-ichi Yamamoto1, Toshinori Suzuki1, Vladimir v. Rybkin2 |
| 13:20-14:50 | 1P021 | Solvent mixing induced micro-domain relaxation process of 1,2-dichloroethane studied by Raman spectroscopy (Graduate School of Sci. and Eng., Aoyama Gakuin Univ.1,Faculty of Sci. and Eng., Chuo Univ.2) *Masashige Okamoto1, Hajime Okajime2, Rintaro Shimada1, Akira Sakamoto1 |
| 13:20-14:50 | 1P022 | Revealing the excited state dynamics of tetracene by using ultraviolet sub-10 fs laser (IRS,Osaka Univ.1,SIOM2,UEC3) *Takahiro Teramoto1, Jun Liu2, Du Juan2, Takayoshi Kobayashi3 |
| 13:20-14:50 | 1P023 | Nonresonant two-photon absorption spectrum of Rhodamine B in a near-infrared region studied by optical-probing photoacoustic spectroscopy and its concentration dependence (Graduate School of Science and Engineering, Aoyama Gakuin Univ.) *Ayumi Tahara, Wataru Kashihara, Tadashi Suzuki |
| 13:20-14:50 | 1P024 | Concentration dependence of intermolecular dynamics of aromatics in aqueous solutions: Charge effect (Department of Chemistry, Chiba University) *Masako Shimizu, Hideaki Shirota |
| 13:20-14:50 | 1P025 | Ultrafast structural changes of large [Au(CN)2-] oligomers in triplet excited state observed by femtosecond time-resolved impulsive stimulated Raman spectroscopy (Molecular Spectroscopy Laboratory, RIKEN, 2-1 Hirosawa, Wako 351-0198 Japan1,Ultrafast Spectroscopy Research Team, RIKEN Center of Advanced Photonics (RAP), RIKEN, 2-1 Hirosawa, Wako 351-0198 Japan2,Research Center of Integrative Molecular Systems, Institute for Molecular Science, 38 Nishigo-Naka, Myodaiji, Okazaki 444-8585, Japan3,Graduate School of Science and Engineering, University of Toyama, 3190 Gofuku, Toyama 930-8555, Japan4) *Li Liu1, Hikaru Kuramochi1,2,3, Munetaka Iwamura4, Koichi Nozaki4, Tahei Tahara1,2 |
| 13:20-14:50 | 1P026 | Structures and physical properties of salts between tetraaminodibenzo[18]crown−6 and sulfonic acid derivatives. (Graduate School of Engineering, Tohoku University1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University2,Graduate School of Science and Technology, Niigata University3) *Yuta Shimizu1, Takashi Takeda1,2, Norihisa Hoshino3, Tomoyuki Akutagawa1,2 |
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| 13:20-14:50 | 1P027 | Purely organic neutral radical conductors with partially-oxidized TTF skeletons: crystal solvent effects on the intermolecular interactions and phase transitions (Faculty of Advanced Science and Technology, Kumamoto University1,Graduate School of Engineering Science, Osaka University2,Institute for Molecular Science3) *Keita Sonoda1, Taro Suemune1, Shuichi Suzuki2, Tetsuro Kusamoto3, Akira Ueda1 |
| 13:20-14:50 | 1P028 | Electron paramagnetic resonance study on the excited electronic state of charge in strontium titanate photocatalyst (Graduate School of Science, Kobe Univ.1,Molecular Photoscience Research Center, Kobe Univ.2,Institute for Molecular Science3) *Zhebin Fu1, Takuya Hirai1, Masaaki Fuki1,2, Yasuhiro Kobori1,2, Hiroshi Onishi1,3 |
| 13:20-14:50 | 1P029 | Guest-Induced Ionic Conductivity of a Metal–Organic Framework Incorporating Aluminum Salts in the Pores (Graduate School of Science, Tokyo University of Science) *Ryo Nakashima, Masaaki Sadakiyo |
| 13:20-14:50 | 1P030 | Development of novel photo-carrier injection technique and creation of photo-induced two-dimensional surface superconductivity (Graduate School of Engineering, Kyoto Univ.1,Graduate School of Frontier Sciences, Univ. of Tokyo2,Institute for Materials Research, Tohoku Univ.3,Institute for Molecular Science4,JST-PRESTO5) *Bin Chen1, Kenichiro Hashimoto2, Motoi Kimata3, Takahiko Sasaki3, Shu Seki1, Hiroshi Yamamoto4, Masayuki Suda1,5 |
| 13:20-14:50 | 1P031 | Molecular Analysis of Proton Conducting Alginic Acid/2-Alkylimidazole Composites (Graduate School of Natural Science and Technology, Kanazawa Univ.1,NanoMaterials Research Institute2) *Nanaka Hosoe1, Takuya Kurihara1, Yasuhiro Shigeta2, Shogo Amemori2, Tomonori Ida1, Motohiro Mizuno1,2 |
| 13:20-14:50 | 1P032 | Synthesis and properties of pyrrole-fused TTFs bearing thiazoles (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) *Miyabi Nakazawa1, Naoya Kinoshita1, Takashi Shirahata1,2, Yohji Misaki1,2 |
| 13:20-14:50 | 1P033 | Anhydrous protonic conductivity in imidazolium methanesulfonate single crystal (The Institute for Solid State Physics, the University of Tokyo) *Hiroki Ogura, Shun Dekura, Hatsumi Mori |
| 13:20-14:50 | 1P034 | Shear Stress Induced Solid-State Isomerization of Spiropyrans (Grd. Sch. Eng., Sanyo-Onoda City Univ.1,Fac. Eng., Sanyo-Onoda City Univ.2,Nat. Inst. Tech., Wakayama College3) *Koki Kawamura1, Jun Eguchi2, Tatsuya Sawai2, Nobutsugu Hamamoto2, Makoto Inokuchi1,2, Yusuke Funasako3 |
| 13:20-14:50 | 1P035 | Electrical properties of alkali-metal-doped lithium phthalocyanines (Graduate School of Science and Technology, Kumamoto Univ.1,Graduate School of Engineering, Tohoku Univ.2,Graduate School of Science and Technology, Niigata Univ.3,Institute of Multidisciplinary Research for Advanced Materials, Tohoku Univ.4,Faculty of Advanced Science and Technology, Kumamoto Univ.5) *Yurie Ogata1, Yuuta Shimizu2, Norihisa Hoshino3, Tomoyuki Akutagawa4, Masaki Matsuda5 |
| 13:20-14:50 | 1P036 | Preparation of molecular perovskite-type solid solutions by mechanical alloying (Graduate School of Sciences and Technology for Innovation, Yamaguchi University) *Jumpei Moriguchi, Atsuko Suzuki, Ryo Tsunashima |
| 13:20-14:50 | 1P037 | Electrical polarization in a valence tautomeric cobalt complex synthesized on the basis of chiral-ligand crystal engineering. (Okayama University of Science,Department of Physics1,Institute for Materials Chemistry and Engineering,Kyushu Univ.2) *Shimon Ikenaga1, Kaoru Yamamoto1, Feng Cheng2, Osamu Sato2 |
| 13:20-14:50 | 1P038 | ESIPT fluorescence behavior of bithiophene-substituted 2-(2’-hydroxyphenyl)benzothiazole derivatives (Graduate School of Engineering, Tohoku University1,Chitose Institute of Science and Technology2,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University3) *Yuzhen Lin1, Momona Shimizu1, Takashi Takeda1,3, Ken-ichi Sakai2, Tomoyuki Akutagawa1,3 |
| 13:20-14:50 | 1P039 | Structural deformation in dicyanamide-based coordination networks (Faculty of Science, Yamaguchi University1,Graduate School of Sciences and Technology for Innovation, Yamaguchi University2) *Yuki Suwabe1, Ryo Tsunashima2, Atsuko Suzuki2 |
| 13:20-14:50 | 1P040 | Observation of Anticancer Drug Molecules by Metal Nanowires Coated with Metal-Organic Frameworks (Reserach Institute for Electronic Science, Hokkaido Univ.1,Graduate School of Information Science, Hokkaido Univ.2,Institute for Integrated Cell-Material Sciences, Kyoto Univ.3) *Kotomi Waranabe1,2, Qian Zhang1,2, Taku Murasugi1,2, Tomoko Inose3, Farsai Taemaitree1,2, Kenji Hirai1,2, Hiroshi Ujii1,2 |
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| 13:20-14:50 | 1P041 | Oxidation of non-equilibrium hafnium-adsorbed silicon (111) surface/interface induced by supersonic oxygen molecule beam irradiation (Faculty of Science, Ehime Univ.1,Japan Atomic Energy Agency2) *Takuhiro Kakiuchi1, Ryota Anai1, Taiju Saiki1, Yasutaka Tsuda2, Akitaka Yoshigoe2 |
| 13:20-14:50 | 1P042 | Electronically excited states of triphenylene thin film studied by two-photon photoemission spectroscopy (Graduate School of Engineering, Osaka Metropolitan Univ.1,Graduate School of Science, Osaka Univ.2) *Shuto Nojima1, Natsumi Murase2, Daegwi Kim1, Hiroyuki Katou2, Megumi Akai2, Takashi Yamada2, Masahiro Shibuta1 |
| 13:20-14:50 | 1P043 | Molecular dynamics study on surface structure of alcohol-water mixture (Graduate School of Science and Engineering, University of Toyama) *Mayu Hirose, Tatsuya Ishiyama |
| 13:20-14:50 | 1P044 | Observation of ultrafast photo-induced phase transition in WTe2 thin layer (NAIST1,QST2) *Yusuke Tanigawa1, Hisao Yanagi1, Hiroyuki Katsuki1, Ryuji Itakura2, Masaaki Tsubouchi2 |
| 13:20-14:50 | 1P045 | IV-SFG studies on the surface structure of Li salt-based deep eutectic solvent (Tokyo Tech.) *Kaito Haruna, Takashi Iwahashi, Yukio Ouchi |
| 13:20-14:50 | 1P046 | Interface structure of saponin by Sum frequency generation spectroscopy (Graduate School of Science, Chiba Univ) *Yoshihide Kagiyama, Takayuki Miyamae |
| 13:20-14:50 | 1P047 | Heterodyne-detected chiral VSFG spectroscopy of Langmuir monolayers of an amphiphilic helicene analogue (Pure and Applied Sciences Graduate School of Science and Technology University of Tsukuba1,Graduate School of Engineering, Utsunomiya University2) *Yuki Nishiyama1, Yuki Nojima1, Michinori Karikomi2, Taka-aki Ishibashi1 |
| 13:20-14:50 | 1P048 | Classification of aspartic acid and leucine amino acid single-molecules using nanogap modification and machine learning (SANKEN, Osaka University) *Jiho Ryu, Yuki Komoto, Takahito Oshiro, Masateru Taniguchi |
| 13:20-14:50 | 1P049 | Theoretical study on proton hopping on TiO2 (101) surface under an external electric field (Graduate School of CSE, Hokkaido Univ.1,ICAT, Hokkaido Univ.2) *Takahiro Chiba1, Kenji Iida2, Jun-ya Hasegawa2 |
| 13:20-14:50 | 1P050 | Raman spectroscopy of interfacial water systems: Theoretical analysis of low-frequency and relaxation modes (Graduate School of Science and Technology, Keio Univ.1,Institute for Molecular Science2,The Graduate University for Advanced Studies3) *Taichi Inagaki1, Miho Hatanaka1, Shinji Saito2,3 |
[Clusters/particles/nanostructures]
| 13:20-14:50 | 1P051 | Hybrid chiral MoS2 layers for spin-polarized charge transport and spin-dependent electrocatalytic applications (Department of Molecular Engineering, Graduate School of Engineering, Kyoto Univ.1,Department of Synthetic Chemistry and Biological Chemistry,Graduate School of Engineering, Kyoto Univ.2,College of Materials Science and Engineering, Fuzhou Univ.3,Japan Science and Technology Agency (JST)4) *Zhiyun Bian1, Kenichi Kato2, Tomoki Ogoshi2, Zhou Cui3, Baisheng Sa3, Yusuke Tsutsui1,4, Shu Seki1, Masayuki Suda1,4 |
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| 13:20-14:50 | 1P052 | Optical properties between tetracene and micro Au nanoclusters (Keio University1,Tokyo University of Science2) *Sunao Hiramatsu1, Mana Nakamoto2, Hayato Sakai1, Yuichi Negishi2, Taku Hasobe1 |
| 13:20-14:50 | 1P053 | Production of FeCoNi medium entropy alloy nanoparticles by UV picosecond laser ablation (Grad. Sch. Eng., Osaka Metro. Univ.1,Grad. Sch. Sci., Osaka Metro. Univ.2) Atsuya Watanabe1, *Tomoyuki Yatsuhashi2 |
| 13:20-14:50 | 1P054 | Reactions of platinum oxide cluster cations with NO molecules observed by ion mobility mass spectrometry (Graduate School of Science, Tohoku Univ.) *Yuto Nakajima, Toshiaki Nagata, Keijiro Ohshimo, Fuminori Misaizu |
| 13:20-14:50 | 1P055 | Solid-state photon upconversion using Au2Cu6 clusters with triplet transmitter ligands (Graduate School of Science, Rikkyo Univ.1,Graduate School of Science, Shizuoka Univ.2) *Taishi Shibuya1, Daichi Arima1, Takumi Yoshinami2, Ryuichi Oyaizu2, Kenji Kobayashi2, Masaaki Mitsui1 |
| 13:20-14:50 | 1P056 | Chemical characterization of group 8,9 atom-encapsulating silicon cage nanoclusters on organic surfaces (Fac. Sci. Keio Univ.) *Takumi Ichikawa, Kazuya Terasaka, Atsushi Nakajima |
| 13:20-14:50 | 1P057 | Synthesis and catalytic properties of liquid metal–transition metal high-entropy alloy nanoparticles (Grad. Sch. Sci., Kyoto Univ.1,Hakubi Center, Kyoto Univ.2,JST-PRESTO3,URC, Kyushu Univ.4,Grad. Sch. Eng., Kyushu Univ.5,Grad. Sch. Sci., Osaka Metro. Univ.6,JASRI/Spring-87) *Masashi Nakamura1, Dongshuang Wu1, Megumi Mukoyoshi1, Kohei Kusada1,2,3, Takaaki Toriyama4, Tomokazu Yamamoto4, Syo Matsumura4,5, Yoshiki Kubota6, Shogo Kawaguchi7, Toshiaki Ina7, Hiroshi Kitagawa1 |
| 13:20-14:50 | 1P058 | Crystal-to-Amorphous-to-Crystal transformation of {V18} type polyoxometalate-based framework structure (Graduate School of Science and Technology for Innovation, Yamaguchi Univ.) *Masahiro Ueo, Yuichiro Miyazaki, Atsuko Suzuki, Ryo Tsunashima |
| 13:20-14:50 | 1P059 | Spatial distribution of negatively charged dye molecules in microdroplets (Graduate School of Science, Osaka Metropolitan Univ.1,Graduate School of Science, Osaka City Univ.2) *Yuzuki Suganuma1, Kota Kamei2, Motoya Sano2, Tomoyuki Yatsuhashi1, Kenji Sakota1 |
| 13:20-14:50 | 1P060 | Relaxation dynamics of organic semiconductor cavity exciton polaritons (NAIST) *Shungo Sunada, Hidenao Matsuchi, Hiroyuki Katsuki, Hisao Yanagi |
| 13:20-14:50 | 1P061 | Novel synthesis of imine-linked covalent organic framework and elucidation of dye separation ability (Graduate School of Science, Tokyo University of Science) *Haruna Mabuchi, Taishu Sekine, Tsukasa Irie, Jin Sakai, Tokuhisa Kawawaki, Saikat Das, Yuichi Negishi |
| 13:20-14:50 | 1P062 | Localized surface plasmonic resonances of size-selected silver nanoclusters soft-landed on an organic substrate (Faculty of Sci. & Tech., Keio Univ.1,Graduate School of Eng., Osaka Metropolitan Univ.2) *Kaito Mizoguchi1, Tomoya Inoue1, Masahiro Shibuta1,2, Atsushi Nakajima1 |
| 13:20-14:50 | 1P063 | Adsorption forms of hydrogen and oxygen on gas-phase platinum clusters studied by infrared photodissociation spectroscopy (Grad. Sch. Sci., Univ. Tokyo1,Grad. Sch. Arts & Sci., Univ. Tokyo2) *Kosuke Tomozawa1, Tianyue Zhou2, Satoshi Kudoh2, Toshiaki Nagata2, Ken Miyajima2, Fumitaka Mafune2 |
| 13:20-14:50 | 1P064 | Multidimensional Vibrational Circular Dichroism System: Distribution of Supramolecular Chirality in Insect Hindwings (Graduate School of Science and Engineering, Ehime Univ.1,JASCO Corporation2,Faculty of Medicine, Toho Univ.3) *Hisako Sato1, Jun Koshoubu2, Akihiko Yamagishi3 |
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| 13:20-14:50 | 1P065 | Label-free imaging of spore fungi (B. megaterium) using multiplex CARS microspectroscopy (Graduate School of Science, Kyushu Univ.1,MARINE WORKS JAPAN2,JAMSTEC3) *Kyosuke Tanaka1, Ryosuke Oketani1, Takeshi Terada2, Yuki Morono3, Hideaki Kano1 |
| 13:20-14:50 | 1P066 | Analysis of molecular crowding effect on DNA hybridization dynamics by two-dimensional fluorescence lifetime correlation spectroscopy (Graduate School of Science and Engineering, Saitama Univ.) *Taisei Miyake, Miyuki Sakaguchi, Takuhiro Otosu, Shoichi Yamaguchi |
| 13:20-14:50 | 1P067 | Parallel cascade selection molecular dynamics for analyzing dissociation process of biomolecules (Graduate School of LST, Tokyo Tech.) *Hikaru Nakaya, Phuoc duy Tran |
| 13:20-14:50 | 1P068 | Evaluation of antioxidant activity of green tea polyphenols by density functional theory (Faculty of Pharmaceutical Sciences, Fukuoka Univ.1,Faculty of Biology-Oriented Science and Technology, Kindai Univ.2) *Hirohito Ikeda1, Tomonori Ohata1, Rie Nakashima1, Hiroyuki Tsutsumi1, Masao Fujisawa2 |
| 13:20-14:50 | 1P069 | Theoretical analysis of the effect of temporary NaCl crystal formation on amyloid β peptide aggregation (Graduate School of system infomatics, Kobe Univ.) *Masafumi Gushiken, Ikuo Kurisaki, Shigenori Tanaka |
| 13:20-14:50 | 1P070 | Theoretical synthetic route design of silicine (Graduate School of Sciences and Technology for Innovation, Yamaguchi Univ.1,Nara Institute of Science and Technology2,Graduate School of Pharmaceutical Sciences, Chiba Univ.3) *Toshiki Adachi1, Eri Kawahara m.1, Takurou Nishimura2, Kimito Funatsu2, Hayato Ishikawa3, Michinori Sumimoto1 |
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| 13:20-14:50 | 1P071 | Protein analysis using dihedral angle transitions in molecular dynamics calculations (SLST,Tokyotech) *Mitsuki Yoshioka |
| 13:20-14:50 | 1P072 | Automated extraction of representative molecular orbitals in electronically excited states (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2,L-Station, Creative Research Institution, Hokkaido Univ.3,WPI-ICReDD, Hokkaido Univ.4) *Shuichi Ebisawa1, Takuro Tsutsumi2,3, Tetsuya Taketsugu2,4 |
| 13:20-14:50 | 1P073 | Theoretical study of substituent effect on non-radiative deactivation process of Hydroxyphenylbenzothiazole (Graduate School of Science, Kyushu Univ.) *Masahiro Sakamoto, Satoshi Suzuki, Haruyuki Nakano |
| 13:20-14:50 | 1P074 | xenoBiotic: Ames Mutagenicity Predictor (2022) (Faculty of Regional Studies, Gifu University1,xenoBiotic Inc., Japan2,ITbM, Nagoya University3) *Hiroaki Wasada1, Toshihiko Sawada1,2, Tomohiro Hashimoto1, Ayato Sato3 |
| 13:20-14:50 | 1P075 | Theoretical study on the spectral properties in TADF molecules: the effects of double-well potentials. (Osaka Metropolitan University1,Tohoku University2) *Shiro Koseki1, Yuichi Fujimura2, Hirohiko Kono2, Toshio Asada1 |
| 13:20-14:50 | 1P076 | Quket: Fast quantum emulator for quantum chemistry (Graduate School of System Informatics, Kobe Univ.1,JST PRESTO2) *Takashi Tsuchimochi1,2 |
| 13:20-14:50 | 1P077 | Quantum Chemical Study on Substituent Effects in Ruthenium-Catalyzed Ammonia Oxidation Reaction (Faculty of Pharmaceutical Sciences, Toho Univ.1,School of Engineering, The Univ. of Tokyo2) *Ken Sakata1, Takeshi Yoshikawa1, Tasuku Yano1, Yoshiaki Nishibayashi2 |
| 13:20-14:50 | 1P078 | Theoretical study of many-body effects on charge mobility (Osaka Pref. Univ.1,RIMED2) *Yui Tanaka1, Shiro Koseki1,2, Yuki Mitsuta1,2, Toshio Asada1,2 |
| 13:20-14:50 | 1P079 | Prediction of the catalytic abilities of palladium phosphine catalytic systems based on the machine learning (Graduate School of Science and Technology, Keio Univ.1,Graduate School of Science, Tokyo Metropolitan Univ.2,Graduate School of Science, Hokkaido Univ.3) *Shunsuke Nakatani1, Yohei Ogiwara2, Julong Jiang3, Taichi Inagaki1, Miho Hatanaka1 |
| 13:20-14:50 | 1P080 | Solvent Effect Evaluation using Ellipsoid Droplet Model in the QM/MC/FEP method (Graduate School of Science and Technology for Innovation, Yamaguchi univ.1,Transition State Technology Company Limited2,AIST3) *Eri Kawahara m.1, Toru Yamaguchi2, Michinori Sumimoto1, Kenji Hori2,3 |
| 13:20-14:50 | 1P081 | Theoretical exploitation of novel light-resistant polycarbonate material design (Faculty of Engineering Sciences, Kyushu Univ.) *Xiao Huang, Yuuichi Orimoto, Yuriko Aoki |
| 13:20-14:50 | 1P082 | Study of electronic structure of spike protein binding domain in ACE2 (IIS, the Univ. of Tokyo) *Toshiyuki Hirano, Fumitoshi Sato |
| 13:20-14:50 | 1P083 | Investigation on second order corrections for GW electron-hole interaction kernel (Graduate School of Engineering, Shizuoka Univ.1,ISSP2,Graduate School Engineering, Yokohama National Univ.3) *Satoka Yamada1, Kohei Isii2, Daichi Hirose2, Osamu Sugino2, Kaoru Ohno3, Yoshifumi Noguchi1 |
| 13:20-14:50 | 1P084 | Precise coarse-graining simulation by combing elongation method with dissipative particle dynamics (Kyushu Univ.) *Yuuichi Orimoto, Daiki Aso, Yuriko Aoki |
| 13:20-14:50 | 1P085 | Non-adiabatic ab initio molecular dynamics on ultra-violet photodissociation of methylamine in S2 state (Department of Materials and Life Science, Sophia University) *Yurika Takaku, Shinkoh Nanbu |
| 13:20-14:50 | 1P086 | Theoretical elucidation of photochemical reactions in (cyclopropylidenemethyl)Benzene: Formation process of Carbene in excited state (Osaka Pref. Univ.1,RIMED2) *Tatsuya Sekido1, Toshio Asada1,2, Shiro Koseki1,2 |
| 13:20-14:50 | 1P087 | Molecular simulation study on the entanglement structure of polymer surfaces (Graduate School of Science and Engineering, University of Toyama) *Natsumi Kyoda, Tatsuya Ishiyama |
| 13:20-14:50 | 1P088 | Computational study on the excited-state proton transfer reaction of a 3-hydroxyflavone derivative (Graduate School of Engineering, Chiba Institute of Technology.) *Koki Furukawa, Norifumi Yamamoto |
| 13:20-14:50 | 1P089 | Development of grid-based basis in matrix product state MCTDH for realization of many degree of freedoms wave packet dynamics (Graduate School of Science, Kyoto Univ.) *Kentaro Hino, Yuki Kurashige |
| 13:20-14:50 | 1P090 | Theoretical study of the Si/C equally-mixed dodecahedrane analogues (Graduate School of Science and Technology , Gunma Univ.1,Iowa State University2) *Tamotsu Uchiyama1, Taiji Nakamura2, Miyabi Hiyama1, Hideyuki Itabashi1, Takako Kudo1 |
| 13:20-14:50 | 1P091 | Computational analysis for the organic reaction based on GFN2-xTB method and its application to post-modification reaction processes (Grad. Sch. of Sci. and Tech., Gunma Univ.) *Kiho Matsubara, Hideki Amii, Ryohei Kakuchi |
| 13:20-14:50 | 1P092 | Application of the multistructural micro iteration scheme to enzymatic reactions (WPI-ICReDD1,Department of Chemistry, Faculty of Science, Hokkaido University2,JST-ERATO3,NIMS4) *Kimichi Suzuki1,2,3, Satoshi Maeda1,2,3,4 |
| 13:20-14:50 | 1P093 | Effect of Jahn-Teller Distortion on the Lithium-ion Transport in a Copper Hexacyanoferrate Framework (Graduate School of Science and Engineering, Yamagata Univ.1,Faculty of Life Science, Kyusyu Sangyo Univ.2) *Dan Ito1, Yoshihide Nakao2, Manabu Ishizaki1, Masato Kurihara1, Hideo Ando1 |
| 13:20-14:50 | 1P094 | Theoretical study on vibronic couplings in singlet fission process of pentacene derivatives (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) *Takayoshi Tonami1, Masayoshi Nakano1, Ryohei Kishi1,2,3,4, Yasutaka Kitagawa1,2,3,4,5 |
| 13:20-14:50 | 1P095 | Theoretical study on laser-induced particle formation of Pd (QST) *Yuzuru Kurosaki, Ryuzo Nakanishi, Morihisa Saeki, Hironori Ohba |
| 13:20-14:50 | 1P096 | Implementation of semiclassical dynamics methods for photochemical reaction analysis (Graduate School of Science, Kyoto Univ.) *Masaya Tsumura, Yuki Kurashige |
| 13:20-14:50 | 1P097 | Theoretical study on relationship between single-molecule electron conductivity and electronic states of annulene as molecular circuit models (Graduate School of Engineering Science, Osaka Univ.1,QIQB, Osaka Univ.2,RCSEC, Osaka Univ.3,ICS, Osaka Univ.4,CSRN, Osaka Univ.5) *Naoka Amamizu1, Keisuke Sasaki1, Keigo Cho1, Taigo Kamimura1, Kazuaki Tokuyama1, Yuta Hayashi1, Masahiro Tsuda1, Ryohei Kishi1,2,3,4, Yasutaka Kitagawa1,2,3,4,5 |
| 13:20-14:50 | 1P098 | Theoretical study on band structures and optical response properties in one-dimensional π-stacked aggregates composed of open-shell molecules (Graduate School of Engineering Science, Osaka Univ.1,QIQB, Osaka Univ.2,RCSEC, Osaka Univ.3,CSRN, Osaka Univ.4) *Jinki Shoda1, Wataru Yoshida1, Masato Ikeuchi1, Ryohei Kishi1,2,3, Yasutaka Kitagawa1,2,3,4 |
| 13:20-14:50 | 1P099 | Theoretical calculation of zero-field splitting tensor in triplet excited state of polycyclic aromatic hydrocarbons (Graduate School of Science, Osaka City Univ.) *Satomi Mizuno, Kazuo Toyota, Daisuke Shiomi, Kazunobu Sato |