Sunday, September 19 (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 | 2P001 | Optimal control simulation for suppressing dephasing by using non-resonant laser pulses (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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| 13:20-15:00 | 2P002 | Microhydration effects on the negatively-charged disulfide bond (Faculty of Science, Tohoku Univ.1,Graduate School of Science, Tohoku Univ.2,IEHE, Tohoku Univ.3) Hiroaki Ushiku1, *Toshihiko Maeyama2,3, Asuka Fujii2 |
| 13:20-15:00 | 2P003 | Ion imaging study of the photodissociation dynamics in the Rydberg states of Br2 (Graduate School of Science, Tokyo Univ. of Science) *Kento Ishii, Shoma Hoshino, Koichi Tsukiyama |
| 13:20-15:00 | 2P004 | Cold ion-trap infrared spectroscopy of the K+channel selective filter partial peptide (GYG) - metal complex – specificity of the Ag+ complex – (Graduate School of Science, Department of Chemistry, Tokyo University of Science1,Laboratory for Chemistry and Life Science, Tokyo Institute of Technology2,School of Science, Tokyo Institute of Technology3,Institute of Innovative Research WRHI, Tokyo Institute of Technology4,School of Life Science and Technology, Tokyo Institute of Technology5) *Satoru Tanabe1,2, Keisuke Hirata2,3,4, Shun-ichi Ishiuchi2,3,4, Koichi Tsukiyama1, Masaaki Fujii2,4,5 |
| 13:20-15:00 | 2P005 | Intracluster ion-molecule reactions of phenol-alkylsilane dihydrogen-bonded cluster cation: Difference in reactivity due to alkyl groups (Graduate School of Science1,School of Science2) *Kazuki Kobayashi1, Masaaki Uchida1, Kenta Mizuse2, Haruki Ishikawa2 |
| 13:20-15:00 | 2P006 | Relaxation process of an oxygen molecule generated by collision-induced absorption in visible region. (Grad. Sch. Sci., Eng., Aoyama Gakuin Univ.1,Faculty of Science, Kanagawa Univ.2) *Toya Hemmi1, Wataru Kashihara1, Tadashi Suzuki1, Akio Kawai2 |
| 13:20-15:00 | 2P007 | Photoreaction mechanisms of 4-substituted-2-chlorophenols in low-temperature rare gas matrices (Graduate School of BASE, Tokyo University of Agriculture and Technology) *Masahiro Yoshida, Masazumi Hayashi, Nobuyuki Akai |
| 13:20-15:00 | 2P008 | Imaging ultrafast hydrogen migration with femtosecond time scale with Polarization-Averaged-Molecular-Frame-Angular-Distributions (PA-MFPAD) (Dep. Phys., Univ. Toyama1,Chemistry, Auto. Univ. Madrid2,Nanoscience, IMDEA3,IMRAM, Tohoku Univ.4) *Shigeru Abe1, Fukiko Ota1, Keisuke Hatada1, Sergio Diaz-tendero2, Kiyoshi Ueda4, Fernando Martin3 |
| 13:20-15:00 | 2P009 | High-resolution Laser spectroscopy of S1-S0 transition of dibenzothiophene (Kobe Univ.) *Kazuho Norii, Ikki Hosomi, Rintarou Kawakami, Rin Taniguchi, Shunji Kasahara, Masaaki Baba |
| 13:20-15:00 | 2P010 | UV spectroscopy of transition metal ions - benzo-18-crown-6 complexes in the gas phase (Department of Chemistry, Graduate School of Advanced Science and Technology, Hiroshima Univ.) *Saya Kanazawa, Motoki Kida, Yuma Kitamura, Satoru Muramatsu, Yoshiya Inokuchi |
| 13:20-15:00 | 2P011 | Solvation structure of benzoxazole-ammonia clusters (Graduate School of Science, Fukuoka Univ.) *Tomoya Kawao, Naoki Matsuo, Yuji Yamada, Yoshinori Nibu |
| 13:20-15:00 | 2P012 | Scattering of an optically modulated electron beam by atoms (Friedrich-Alexander Universität Erlangen-Nürnberg1,RIKEN2,Aarhus University3) *Yuya Morimoto1,2, Peter Hommelhoff1, Lars bojer Madsen3 |
| 13:20-15:00 | 2P013 | Photoionization of 3-methylindole in water and in sodium dodecyl sulfate (SDS) aqueous solutions observed with femtosecond time-resolved visible near-IR spectroscopy (Faculty of Science, Gakushuin Univ.) *Shion Goryo, Koichi Iwata |
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| 13:20-15:00 | 2P014 | [Withdraw] |
| 13:20-15:00 | 2P015 | Molecular diffusion process of benzophenone derivatives probed by transient grating method (Grad. Sch. Sci. Eng., Aoyama Gakuin Univ.) *Sotaro Hiramoto, Wataru Kashihara, Tadashi Suzuki |
| 13:20-15:00 | 2P016 | Inelastic scattering and spectral retrieval in ultrafast photoemission spectroscopy of liquids (Graduate School of Science, Kyoto Univ.) Yo-ichi Yamamoto, *Hiroto Yano, Toshinori Suzuki |
| 13:20-15:00 | 2P017 | Reaction processes of negative fragment ions on methanol microdroplet surfaces by fast ion irradiation (Graduate School of Engineering, Kyoto Univ.1,IRS, Osaka Univ.2) *Yuki Mizunami1, Takuya Majima1, Takahiro Teramoto2, Hidetsugu Tsuchida1, Manabu Saito1 |
| 13:20-15:00 | 2P018 | Thermochromism and Photochromism derivative SBP-β-NP (Graduate School of Life Science, RITSUMEIKAN Univ.) *Tetsuya Yamamoto, Yusuke Kasai, Yu Kihara, Yutaka Nagasawa |
| 13:20-15:00 | 2P019 | Effect of heterogeneous structure of ionic liquids on conformation. (Graduate School of Science and Engineering, Doshisha Univ.1,Faculty of Science and Engineering, Doshisha Univ.2) *Hiroki Sumida1, Yoshifumi Kimura1,2, Takatsugu Endo2 |
| 13:20-15:00 | 2P020 | Design, synthesis and photochemical stability of newly designed pentacene derivatives with two stable radical substituents (Graduate School of Science ,Osaka City Univ) *Kanta Shimada, Kohei Yoshida, Yoshio Teki |
| 13:20-15:00 | 2P021 | Investigating molecular association process using energy representation theory of diffusion (Graduate School of Engineering Science, Osaka Univ.) *Kazuya Okita, Kento Kasahara, Nobuyuki Matubayasi |
| 13:20-15:00 | 2P022 | Probing structural relaxation of cycloparaphenylene in the excited state with femtosecond stimulated Raman spectroscopy (Graduate School of Engineering Science, Osaka Univ.) *Hikaru Sotome, Yusuke Morita, Hiroshi Miyasaka |
| 13:20-15:00 | 2P023 | Brownian motion of ellipsoidal polystyrene particle (Ariake College1,Nihon Univ.2) *Kazuki Furukawa1, Ken Judai2 |
| 13:20-15:00 | 2P024 | Large pyroelectric effect of a supramolecular crystal with unique structural flexibility (The Research Institute for Electronic Science, Hokkaido University) *Rui-kang Huang |
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| 13:20-15:00 | 2P025 | Charge transfer at the contact interface between dibenzothiophene and quinone compound single crystals (Graduate School of Chemical Science and Engineering, Hokkaido University1,Faculty of Science, Hokkaido University2) *Takuma Miyata1, Yukihiro Takahashi1,2, Jun Harada1,2 |
| 13:20-15:00 | 2P026 | Solid-state Molecular Rotation of Supramolecular Cation Formed by Branched alkylammonium/Dibenzo[18]crown-6 (Graduate School of Environmental Science, Hokkaido Univ.1,RIES,Hokkaido Univ.2) *Kazuya Kanamaru1, Kiyonori Takahashi1,2, Kenta Kokado1,2, Rui-kang Huang1,2, Chen Xue1,2, Takayoshi Nakamura1,2 |
| 13:20-15:00 | 2P027 | Room-temperature phosphorescence and inclusion mode of β-cyclodextrin/naphthalene/alcohol complexes：effect of third components (Graduate School of Arts and Sciences Iwate Univ) *Miharu Sakai, Hitoshi Yashiro, Eiichi Suzuki |
| 13:20-15:00 | 2P028 | Metal Complexes of Molecular Glassy [12]DBA Derivative (Graduate School of Engineering, Tohoku University1,IMRAM, Tohoku University2,Graduate School of Engineering Science, Osaka University3) *Yotaro Kasahara1, Takashi Takeda1,2, Norihisa Hoshino1, Ichiro Hisaki3, Tomoyuki Akutagawa1,2 |
| 13:20-15:00 | 2P029 | Extension of ethylenedithiothiophene oligomers and their charge-transfer complexation (ISSP, The Univ. of Tokyo) *Kota Onozuka, Ryohei Kameyama, Tomoko Fujino, Hatsumi Mori |
| 13:20-15:00 | 2P030 | Synthesis and ionic conductivity of a covalent organic framework including aluminum salts (Graduate School of Science, Tokyo University of Science) *Ayaka Sugai, Masaaki Sadakiyo |
| 13:20-15:00 | 2P031 | Structural and physical analysis of proton conductive alginic acid-polyacrylic acid-triazole composites (Graduate School of Natural Science and Technology, Kanazawa University1,Nanomaterials Research Institute, Kanazawa University2) *Ryota Watanabe1, Takuya Kurihara1, Yasuhiro Shigeta2, Shogo Amemori2, Tomonori Ida1, Motohiro Mizuno1,2 |
| 13:20-15:00 | 2P032 | Structural changes in excited states of tungsten trioxide photocatalyst (ESICB, Kyoto Univ.) *Masanori Kaneko, Koichi Yamashita |
| 13:20-15:00 | 2P033 | Proton-electron coupling based on metal complexes with o-aminobenzenethiol ligands (Graduate School of Science, Kyoto University) *Pingping Huang, Yukihiro Yoshida, Hiroshi Kitagawa |
| 13:20-15:00 | 2P034 | Estimation of charge-injection barriers at the metal/pentacene interface through Accumulated Charge Measurement (Graduate School of Science, University of Hyogo) *Takeshi Oda, Hiroyuki Tajima, Tomofumi Kadoya |
| 13:20-15:00 | 2P035 | Synthesis, structures and physical properties of molecular conductors lacking inversion symmetry based on chiral DT-TTF (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) *Akashi Fujii1, Naoya Kinoshita1, Takashi Shirahata1,2, Yohji Misaki1,2 |
| 13:20-15:00 | 2P036 | Attempt to improve carrier mobility of OFET using a stable radical molecules (Graduate School of Science and Technology, Kumamoto Univ1,Faculty of Advanced Science and Technology, Kumamoto Univ2) *Ryoma Tanaka1, Masaki Matsuda2 |
| 13:20-15:00 | 2P037 | Fabrication of molecular conductors consisting of fluorine-substituted metal phthalocyanines for controlling electrical and magnetic properties (Graduate School of Science and Technology, Kumamoto Univ1,Faculty of Advanced Science and Technology, Kumamoto Univ2) *Ryoya Sato1, Masaki Matsuda2 |
| 13:20-15:00 | 2P038 | Purely organic neutral radical conductors with partially oxidized TTF skeletons : exploration of chemical modification effect (Graduate School of Advanced Science, Kumamoto Univ.) *Keita Sonoda, Taro Suemune, Akira Ueda |
| 13:20-15:00 | 2P039 | Complete picture of OH stretch relaxation at the air/H2O interface investigated by time-resolved heterodyne-detected vibrational sum-frequency generation spectroscopy (Molecular Spectroscopy Laboratory, RIKEN1,Ultrafast Spectroscopy Research Team, RIKEN Center for Advanced Photonics (RAP), RIKEN2) *Woongmo Sung1, Ken-ichi Inoue1, Satoshi Nihonyanagi1,2, Tahei Tahara1,2 |
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| 13:20-15:00 | 2P040 | Catalytic effect of trace amount of water on ion transport through liquid-liquid interface (Graduate School of Science, Tohoku Univ.1,ESICB, Kyoto Univ.2) *Reina Ichikawa1, Ai Koizumi1, Tomonori Hirano1, Akihiro Morita1,2 |
| 13:20-15:00 | 2P041 | Structural identification of water adsorbed on graphene by linear and nonlinear vibrational spectroscopy (Dept. of Chem., Tokyo Univ. of Sci.1,Water Frontier Research Center in TUS2) *Taku Uchida1, Shu-hei Urashima1,2, Hiroharu Yui1,2 |
| 13:20-15:00 | 2P042 | CD spectral analysis of the β-sheet → α-helix conversion using the singular value decomposition (Tokyo University of Science) *Tomoki Shiratori, Tomoyo Sakaguchi, Takahiro Kasai, Yuta Otsuka, Satoru Goto |
| 13:20-15:00 | 2P043 | Evaluation of adsorption free energy at solid-liquid interfacial system using 3D-RISM theory (Graduate School of Engineering, Kyoto Univ.1,ESICB, Kyoto Univ.2) *Akihiko Takamatsu1, Ryoichi Fukuda1,2, Masahiro Higashi1, Hirofumi Sato1 |
| 13:20-15:00 | 2P044 | Computation of quadrupole contribution in sum frequency generation by time dependent formula (Graduate School of Science, Tohoku Univ.1,ESICB, Kyoto Univ.2) *Tomonori Hirano1, Akihiro Morita1,2 |
| 13:20-15:00 | 2P045 | Optical control of proton conductivity by plasmonic metal nanostructure (Grad. School Sci., Hokkaido Univ.1,Fac. Sci., Hokkaido Univ.2) *Motohiro Sai1, Tomohiro Fukushima2, Kei Murakoshi2 |
[Clusters/particles/nanostructures]
| 13:20-15:00 | 2P046 | OPIG-DC dependence of proton transfer reaction of Ubiquitin (Graduate School of Nanobioscience, Yokohama City Univ.) *Julie Morishita, Takaaki Iyama, Wataru Kadota, Yuto Yonebayashi, Hiroto Ohta, Satofumi Tago, Yasutaka Soga, Soju Tomiyama, Yurika Hayakawa, Shinji Nonose |
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| 13:20-15:00 | 2P047 | TDDFT study on the photodissociation of Cl loss from PdCl42- (Graduate School of Science, Japan Women's Univ.1,Quantum Beam Science Center, Japan Atomic Energy Agency2) *Aiko Anzai1, Yuzuru Kurosaki2, Ryuzou Nakanishi2, Morihisa Saeki2, Hironori Oba2, Azusa Muraoka1 |
| 13:20-15:00 | 2P048 | Concentration dependence of molecular orientation and spatial distribution of dye molecules dissolved in a single microdroplet (Graduate School of Science, Osaka City University) *Kota Kamei, Motoya Sano, Tomoyuki Yatsuhashi, Kenji Sakota |
| 13:20-15:00 | 2P049 | Synthesis of fluorescent organic ligand-protected Au2Cu6 clusters for photon upconversion (Graduate School of Science, Rikkyo Univ.1,Graduate School of Science, Shizuoka Univ.2) *Ryuichi Takayama1, Daichi Arima1, Yoshiki Niihori1, Takumi Yoshinami2, Kenji Kobayashi2, Masaaki Mitsui1 |
| 13:20-15:00 | 2P050 | Evaluation for the surface tension of synthetic polymer using ion-mobility mass spectrometry (Canon Inc.1,The University of Goettingen2) *Shinsuke Kokubo1, Philipp Vana2 |
| 13:20-15:00 | 2P051 | Observation of laser-induced acoustic wave signals generated in photo-excited fullerene aggregates (Graduate School of Science, Kanagawa Univ.1,Kanagawa Univ.2) *Takayuki Nomura1, Jishin Kyuu1, Takayoshi Kai2, Nanami Okita2, Akio Kawai2,1 |
| 13:20-15:00 | 2P052 | Synthesis and characterization of Ag-based superatomic molecule (Graduate School of Science, Tokyo University of Science1,Fac. Sci., Hokkaido Univ.2) *Sayuri Miyajima1, Ryo Kaneko1, Sakiat Hossain1, Tokuhisa Kawawaki1, Takeshi Iwasa2, Tetsuya Taketsugu2, Yuichi Negishi1 |
| 13:20-15:00 | 2P053 | Theoretical study of Li2S, Li2S2 formation from S3- radical in carbon nanotube (Kyoto Institute of Technology) *Taisei Ueda, Takashi Yumura |
| 13:20-15:00 | 2P054 | Synthesis and femtosecond spectroscopic study of CdSe/CdTe Core/crown Nanoplatelets (Graduate School of Science and Technology, KG Univ.) *Haruka Nagasawa, Daichi Eguchi, Naoto Tamai |
| 13:20-15:00 | 2P055 | Fabrication of gold cluster network through dynamic covalent bond formation (Graduate School of Environmental Science Hokkaido University1,Faculty of Environmental Earth Science, Hokkaido University2) *Yuki Saito1, Yukatsu Shichibu1,2, Katsuaki Konishi1,2 |
| 13:20-15:00 | 2P056 | A comparative study of structural, electronic, and optical properties of thiolated gold clusters with icosahedral vs face-centered cubic cores (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Graduate School of Science, Hokkaido Univ.2,WPI-ICReDD, Hokkaido Univ.3) *Maho Miyamoto1, Takeshi Iwasa2,3, Tetsuya Taketsugu2,3 |
| 13:20-15:00 | 2P057 | Investigation of Processes of Electrospray Ionization by Charge and Ion Mobility Simultaneous Measurement on Charged Nano-droplets (Dept. of Chem. Toho Univ) *Tomoya Ono, Yuya Oishi, Ryo Sasaki, Toshiki Sugai |
| 13:20-15:00 | 2P058 | Study of origin of ultraviolet light induced transient grating signals from non-photoreactive proteins. (Grad, sch, pure and appl. univ. of tsukuba) *Hiroki Nagayama, Masato Kondoh, Yui Tazima, Taka-aki Ishibashi |
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| 13:20-15:00 | 2P059 | Label-free autofluorescence lifetime imaging of liquid-liquid phase separation: structural changes of a pathogenic protein (Faculty of Pharmaceutical Sciences, Tohoku Univ.) *Uchu Matsuura, Shinya Tahara, Shinji Kajimoto, Takakazu Nakabayashi |
| 13:20-15:00 | 2P060 | Dispersion Stabilization of Nanoparticles by Cyclic Polymers (Graduate School of Chemical & Sciences Engineering, Hokkaido Univ.1,Faculty of Engineering, Hokkaido Univ.2) *Yubo Wang1, Takuya Yamamoto2 |
| 13:20-15:00 | 2P061 | Free energy calculations of tRNA dissociation from ribosome using coarse-grained molecular simulations (Grad. Sch. Sys. Inf., Kobe Univ.) *Yoshiharu Mori, Shigenori Tanaka |
| 13:20-15:00 | 2P062 | Photoreaction of oligonucleotide in visible light region detected by femtosecond pulsed laser (Gakushuin Univ.) *Akira Takakado, Koichi Iwata |
| 13:20-15:00 | 2P063 | Theoretical study on the structure and reactivity of persulfides : importance in redox biology. (Graduate School of Pharmaceutical Sciences, Tohoku Univ.) *Lisa Kageyama, Takakazu Nakabayashi |
| 13:20-15:00 | 2P064 | Measurement of the electron-transfer rate of photosystem I at the single-molecule level by 2D-fluorescence lifetime correlation spectroscopy (Tohoku Univ.1,Tokyo Tech.2,Tokyo Univ. of Sci3) *Rin Taniguchi1, Toshiyuki Shinoda3, Tatsuya Tomo3, Shen Ye1, Toru Kondo2, Yutaka Shibata1 |
| 13:20-15:00 | 2P065 | Free-energy analysis of the changes in ligand-binding abilities of cancer-assosiated protein MDM2 by adding cosolvent (Graduate School of Engineering Science, Osaka Univ.) *Naoki Komiya, Kento Kasahara, Nobuyuki Matubayasi |
| 13:20-15:00 | 2P066 | Simple excited-state calculation that can account for static electron correlation: Canonical-basis TDHFB method (Grad. Sch. Chem. Sci. Eng., Hokkaido Univ.1,Fac. Sci., Hokkaido Univ.2,WPI-ICReDD, Hokkaido Univ.3,ESICB, Kyoto Univ.4) *Masatsugu Nishida1, Tomoko Akama2, Masato Kobayashi2,3,4, Tetsuya Taketsugu2,3,4 |
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| 13:20-15:00 | 2P067 | Theoretical study on influence of the latent curing agent accelerator to give phenol-epoxy ring-opening reaction (Graduate School of Sciences and Technology for Innovation, Yamaguchi Univ.) *Ryusuke Mitani, Michinori Sumimoto |
| 13:20-15:00 | 2P068 | Quantum chemical study of oxygen reduction reaction on SiC nano-sheet (Yokohama National University) *Naoki Nomizu, Kota Sato |
| 13:20-15:00 | 2P069 | Climing end image algorithm to locate transition state (Department of Chemistry, Osaka Pref. Univ.1,RIMED2) *Toshio Asada1,2, Mamoru Haruta1, Yuki Mitsuta1,2, Shiro Koseki1,2 |
| 13:20-15:00 | 2P070 | Theoretical Study on the cocatalyst dependent activity of metallocene catalyst (Mitsui Chemicals, Inc.) *Kentaro Matsumoto, Kazunori Kamio, Takashi Nakano, Shunsuke Ashikaga, Yasuyuki Harada, Hiroshi Terao |
| 13:20-15:00 | 2P071 | Theoretical study of substituent effects of ligand on LUMO energy of [Ru(bpy)3]2+ by multivariate analysis (Graduate School of Engineering Science, Osaka Univ.1,CSRN, Osaka Univ.2,QIQB, Osaka Univ.3,RCSEC, Osaka Univ.4,ICS, Osaka Univ.5) *Hiromasa Sato1, Naoka Amamizu1, Keigo Cho1, Yasutaka Kitagawa1,2,3,4, Masayoshi Nakano1,2,3,4,5 |
| 13:20-15:00 | 2P072 | Singlet Fission Dynamics in Pentacene Slip-Stack-like Ring-Shaped Aggregate Models: Size and Configuration Dependences (Graduate School of Engineering Science, Osaka Univ.1,Center for Spintronics Research Network, Graduate School of Engineering Science, Osaka Univ.2,Center for Quantum Information and Quantum Biology, Osaka Univ.3,Innovative Catalysis Science Division, Institute for Open and Transdisciplinary Research Initiatives, Osaka Univ.4,Research Center for Solar Energy Chemistry, Graduate School of Engineering Science, Osaka Univ.5) *Hajime Miyamoto1, Kenji Okada1, Kazuaki Tokuyama1, Masayoshi Nakano1,2,3,4,5 |
| 13:20-15:00 | 2P073 | Implementation of ADAPT-VQE simulator and verification of its accuracy (Graduate School of Science, Technology and Innovation Kobe Univ.1,Graduate School of System Informatics Kobe Univ.2,JST PRESTO3) *Masaki Taii1, Taisei Nishimaki2, Seiichiro Tenno1,2, Takashi Tsuchimochi2,3 |
| 13:20-15:00 | 2P074 | Iron and cobalt oxo-complexes with high oxidation states in O2 activation (Graduate School of Engineering, Nagoya Inst. Tech.1,Faculty of Regional studies, Gifu Univ.2,Graduate School of Engineering, Aichi Inst. Tech.3) *Yuko Wasada-tsutsui1, Hiroaki Wasada2, Shunsuke Yomura1, Tomohiko Inomata1, Tomohiro Ozawa1, Hideki Masuda3,1 |
| 13:20-15:00 | 2P075 | Spectral tuning mechanism of photosynthetic light-harvesting complex II revealed by ab initio dimer exciton model (Graduate School of Science, Nagoya Univ.) *Takumi Minoda, Kazuhiro Fujimoto, Takeshi Yanai |
| 13:20-15:00 | 2P076 | Theoretical study of the alkynylation of isatin derivatives catalyzed by chiral phase-transfer catalysts (Graduate School of Science, Keio Univ) *Shun Okubo, Taichi Inagaki, Miho Hatanaka |
| 13:20-15:00 | 2P077 | Jastrow-type Decomposition in Quantum Chemistry for Low-Depth Quantum Circuits (Graduate School of Science, Kyoto Univ.) *Yuki Kurashige |
| 13:20-15:00 | 2P078 | Automated extraction of reactive orbitals (Grad. School of Chem. Sci. and Eng. / Hokkaido Univ.1,Fac. Sci. / Hokkaido Univ.2,Grad. School of Sci., Technol. and Innovation / Kobe Univ.3,ICReDD / Hokkaido Univ.4) *Shuichi Ebisawa1, Masatoshi Hasebe1, Takuro Tsutsumi2, Takao Tsuneda2,3, Tetsuya Taketsugu2,4 |
| 13:20-15:00 | 2P079 | Analysis of correlation of localized spins and bond orders in open-shell molecules (Graduate School of Engineering, Kyoto Univ.1,ESICB, Kyoto Univ.2,FIFC, Kyoto Univ.3) *Kaho Nakatani1, Masahiro Higashi1,2, Ryoichi Fukuda2, Hirofumi Sato1,2,3 |
| 13:20-15:00 | 2P080 | Simulation of a laser-driven three-level system by a noisy quantum computer (Department of Chemistry, School of Science, The University of Tokyo) *Takanori Nishi, Erik Lötstedt, Kaoru Yamanouchi |
| 13:20-15:00 | 2P081 | Theoretical Study on Complex Ions composed of Sodium Tartrate and Cu(Ⅱ) 2 (Nagasakinishi High School1,Graduate School of Engineering, Nagasaki University2,Faculty of Regional Studies, Gifu University,3,Institute of Molecular Science4,Graduate University of Advanced Study5) Haruhumi Aso1, *Takahiro Iwamoto1, Koyo Morisaki1, Motoyasu Egasira1, Issei Akasaka1, Tenma Hamaguchi1, Tadato Kawahara1, Naoya Tsuruta1, Ryusei Yoshitake1, Hitoshi Hukuzaki1, Yosinobu Gondoh1, Daisuke Noguchi2,1, Tomohiro Hashimoto3, Suehiro Iwata4,5 |
| 13:20-15:00 | 2P082 | Development of spin-crossing image NEB and its applications to transition metal complex-catalyzed reactions (Graduate School of Science, Tokyo Metropolitan University) *Yuki Inoue, Naoki Nakatani, Masahiko Hada |
| 13:20-15:00 | 2P083 | Theorical study on stacking structure dependence of aromaticity and open-shell character in π-stacked antiaromatic molecular aggregates (Graduate School of Engineering Science, Osaka Univ1,QIQB, Osaka Univ2,RCSEC, Osaka Univ3,ICS, Osaka Univ4,CSRN, Osaka Univ5) *Masato Ikeuchi1, Ryohei Kishi1,2,3, Wataru Yoshida1, Yosuke Shimizu1, Jinki Shoda1, Naoki Shirai1, Masayoshi Nakano1,2,3,4,5 |
| 13:20-15:00 | 2P084 | Application and evaluation of the discrete atom designation (PDrCA) method using the scaled hypersphere search method for alanine (Graduate School of Systems Engineering, Wakayama Univ.1,Faculty of Systems Engineering, Wakayama Univ.2) *Akira Mukai1, Hideo Yamakado2,1, Kazuhiro Tanaka2 |
| 13:20-15:00 | 2P085 | Mechanism study on nonoxidative coupling of methane catalyzed by Nickle phosphide (Institute for Catalysis, Hokkaido Univ.1,School of Materials and Chemical Technology, Tokyo Institute of Technology2) *Rattanawalee Rattanawan1, Min Gao1, Ichiro Yamanaka2, Jun-ya Hasegawa1 |
| 13:20-15:00 | 2P086 | Theoretical insights on the aggregation-induced emission of a triskelion-shaped molecule bearing coumarin (Chiba Tech) *Nao Yanagi, Norifumi Yamamoto |
| 13:20-15:00 | 2P087 | The origin of strong Raman intensity of low-frequency modes of non-planar nanocarbons (Graduate School of Informatics and Engineering, University of Electro-Communications1,Graduate School of Science2) *Keigo Yamaguchi1, Yoshihiro Yamakita1, Koichi Ohno2 |
| 13:20-15:00 | 2P088 | Theoretical study on means of preventing Si−C bond cleavage during polycondensation of organosilanes to organosilicas. (TCRDL) *Soichi Shirai, Shinji Inagaki |
| 13:20-15:00 | 2P089 | Study of electronic structure of SARS-CoV-2 nucleocapsid protein RNA binding domain (IIS, the Univ. of Tokyo1,Miyazaki-nishi high school2) *Toshiyuki Hirano1, Yu Sakaguchi2, Fumitoshi Sato1 |
| 13:20-15:00 | 2P090 | Development of fuzzy clustering based on chemical and spatial heterogeneity in Raman spectral imaging (CSE, Hokkaido Univ.1,RIES, Hokkaido Univ.2,ICReDD, Hokkaido Univ.3,Dept. Eng., Osaka Univ.4,Kyoto Pref. Univ. Med.5) *Ryoya Kondo1, Taylor James n.2, Clement Jean-emmanuel2, Yuta Mizuno1,2,3, Katsumasa Fujita4, Yoshinori Harada5, Tamiki Komatsuzaki1,2,3 |
| 13:20-15:00 | 2P091 | Generation of Optically Active Molecules by Combining Monte Carlo Tree Search and Recurrent Neural Networks (Graduate School of Science and Engineering, Toyo Univ.) *Masahiro Hirata, Motomichi Tashiro |