Thursday, September 13 (13:00 - 14:40)
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
| 13:00-14:40 | 4P001 | Effects of π electron on hydrogen bonded structures of unsaturated alcohol dimers (Graduate School of Shizuoka1,Shizuoka University Faculty of Science2) *Kenichi Kuroda1, Yoshiteru Matsumoto2 |
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| 13:00-14:40 | 4P002 | Intramolecular hydrogen-atom transfer and the lowest excited triplet state of 9H-fluorene (Graduate School of BASE) *Takehiro Kumakura, Nobuyuki Akai, Munetaka Nakata |
| 13:00-14:40 | 4P003 | Cation−π interaction in the Cu(C6H6)n+ clusters (Graduate School of Science, Kitasato University1,School of Science, Kitasato University2) *Kazuki Imajo1, Haruki Ishikawa2 |
| 13:00-14:40 | 4P004 | Gas phase laser spectroscopy of hydrated clusters of protonated nicotine and nornicotine by using electrospray / cold ion trap technique (Laboratory for Chemistry and Life Science, Tokyo Institute of Technology, Japan.1,Pacific Northwest National Laboratory, USA.2) *Kazuya Tsuruta1, Shun-ichi Ishiuchi1, Sotiris Xantheas2, Masaaki Fujii1 |
| 13:00-14:40 | 4P005 | Study on chiral selectivity of pyrrole-propylene oxide clusters by IR spectroscopy. (Graduate School of integrated science and technology, Shizuoka Univ.1,Faculty of Science, Shizuoka Univ.2) *Kento Sakurai1, Yoshiteru Matsumoto2 |
| 13:00-14:40 | 4P006 | Kinetics of the reaction of TiO radical with O2 (Faculty of Science, Japan Women's Univ.) *Nami Yamakita, Yohko Higuchi, Takashi Imajo |
| 13:00-14:40 | 4P007 | Momentum distribution of protons ejected from H2O2+ in an ultrashort intense laser field obtained by time-dependent adiabatic-state method (Graduate School of Science, The Univ. of Tokyo1,Institute for Materials Research, Tohoku Univ.2,Graduate School of Science, Tohoku Univ.3) *Sho Koh1, Kaoru Yamanouchi1, Kaoru Yamazaki2, Manabu Kanno3, Hirohiko Kono3 |
| 13:00-14:40 | 4P008 | Determination of collision times with attosecond precision in laser-assisted electron scattering by multi-cycle and single-cycle laser pulses (School of Science, The Univ. of Tokyo) *Reika Kanya, Kakuta Ishida, Yuya Morimoto, Kaoru Yamanouchi |
| 13:00-14:40 | 4P009 | Collision induced reaction of 3-formylchromone protonated ion (Graduated school in Nanobioscience, Yokohama city Univ.) *Hoshiyuri Oji, Yu Usui, Hayato Sasaoka, Shinji Nonose |
| 13:00-14:40 | 4P010 | Infrared spectroscopy of H+(H2S)n(H2O)1: Determination of the excess proton location (Faculty of Sci., Tohoku Univ.1,Graduate School of Sci., Tohoku Univ.2) *Keigo Hattori1, Dandan Wang2, Asuka Fujii2 |
| 13:00-14:40 | 4P011 | Development of double resonance spectroscopy system for heterodyne detection (Tokyo Insititute of Technology) *Hidekazu Muramatsu, Hideto Kanamori |
| 13:00-14:40 | 4P012 | Real-time observation of intermolecular vibration dynamics in benzene clusters (School of Science, Tokyo Tech1,Graduate School of Arts and Sciences, Tokyo Univ.2) *Tomomi Murai1, Kenta Mizuse1, Hirokazu Hasegawa2, Yasuhiro Ohshima1 |
| 13:00-14:40 | 4P013 | Isotope-selective ionization utilizing IBr alignment with a switched nanosecond pulse (QST-KPSI1,JAEA2,Univ. Tokyo3,Tokyo Tech.4) *Hiroshi Akagi1, Takayuki Kumada2, Tomohito Otobe1, Ryuji Itakura1, Hirokazu Hasegawa3, Yasuhiro Ohshima4 |
| 13:00-14:40 | 4P014 | Transversal momentum distribution of tunneling electrons from D2 in circularly polarized intense laser fields (Grad. Sc. of Sci. Nagoya Univ.1,RCMS2) *Hikaru Fujise1, Takeru Nakamura1, Masateru Yamamoto1, Yu Nagao1, Daimu Ikeya1, Akitaka Matsuda1, Mizuho Fushitani1, Akiyoshi Hishikawa1,2 |
| 13:00-14:40 | 4P015 | Real-time probing of ultrafast hydrogen migration in methanol in intense femtosecond laser fields (School of Science, The Univ. of Tokyo) *Takuya Matsubara, Shinichi Fukahori, Toshiaki Ando, Atsushi Iwasaki, Kaoru Yamanouchi |
| 13:00-14:40 | 4P016 | Effective intermolecular potential function of He-HCN and ergy levels near the dissociation limit. (Faculty of Science, Kyushu University1,International center for space weather science, Kyushu University2) *Kensuke Harada1,2, Keiichi Tanaka2 |
| 13:00-14:40 | 4P017 | Intense laser ionization mass spectrometry of alkanes (Niigata Univ. Pharm.) Reika Ishii, Naoko Hino, Masaaki Sakai, Tatsuro Shirota, *Kennosuke Hoshina |
| 13:00-14:40 | 4P018 | Surface effect on Brownian motion of water-ethanol mixtures. (College of Humanities and Sciences, Nihon Univ.) *Kaho Nishiyama, Kazuki Furukawa, Ken Judai |
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| 13:00-14:40 | 4P019 | Theoretical study of electron transfer excitation between O2 and I- mediated by H2O (Faculty of Eng. Sci., Kyushu Univ.) *Wataru Mizukami, Akihiro Yabushita, Akira Harata, Yuriko Aoki |
| 13:00-14:40 | 4P020 | Quantum chemical analysis of SN1 reaction of 3-Chloro-3,7-dimethyloctane in methanol : Toward microscopic understanding of the generation process of enantiomers (Graduate School of Informatics, Nagoya University1,JST-CREST2,ESICB, Kyoto University3) *Hiroaki Yagoshi1, Yuichi Suzuki1, Nobuaki Koga1,2, Masataka Nagaoka1,2,3 |
| 13:00-14:40 | 4P021 | Basic Cell Size Dependence of Diffusion Coefficient of Macromolecule immersed in a two-dimensional Lennard-Jones Fluid. (Graduate School of Science, Kyushu Univ.) *Masaaki Nagao, Ryo Akiyama |
| 13:00-14:40 | 4P022 | Nonadiabatic ab initio molecular dynamics of 1,3-cyclohexadiene and 1,3,5-cis-hexatriene in hexane solvents (Graduate School of Science and Technology, Sophia Univ.1,Graduate School of Medical Life Science, Yokohama City Univ.2) *Kenta Moriwaki1, Ayumi Ohta1, Osamu Kobayashi2, Sebastian Danielache1, Shinkoh Nanbu1 |
| 13:00-14:40 | 4P023 | CO2 Reduction Using Manganese Electrocatalyst in the Presence of Lewis Acid at Low-Overpotential: A DFT Study on the Reaction Mechanism (I2CNER, Kyushu University1,FIFC, Kyoto University2) *Miho Isegawa1, Akhilesh Sharma2 |
| 13:00-14:40 | 4P024 | Theoretical study of the photochemical reaction in the water solution of the ion sulfate (Sophia Univ.1,Yokohama City Univ.2) *Hatsumi Soma1, Ayumi Ohta1, Osamu Kobayashi2, Shinkoh Nanbu1 |
| 13:00-14:40 | 4P025 | Effect of multivalent cation on interactions between negatively charged biomolecules (Department of Chemistry, Kyushu University) *Ayumi Suematsu, Ryo Akiyama |
| 13:00-14:40 | 4P026 | Transition state theory analysis of hydrogen-bonds breakage in supercooled water: temperature dependence of transmission coefficient and physical implication of activation energy (Graduate School of Engineering Science, Osaka Univ.) *Takuma Kikutsuji, Kang Kim, Nobuyuki Matubayasi |
| 13:00-14:40 | 4P027 | An improvement in the free energy functional for molecular liquids based on the fundamental measure theory and its application to the interracial properties (Graduate School of Engineering, Kyoto University1,ESICB, Kyoto University2) *Tomoaki Yagi1, Hirofumi Sato1,2 |
| 13:00-14:40 | 4P028 | Theoretical study of solvent effect in nucleophilic substitution reaction of propargylic alcohols derivatives (Faculty of Science and Technology, Sophia University) *Satiko Iida, Kenta Moriwaki, Ayaka Akiyama, Shinkoh Nanbu |
| 13:00-14:40 | 4P029 | Ab initio effective fragment potential-molecular dynamics simulation of supercritical fluids (Faculty of Core Research Natural Science Division, Ochanomizu Univ.1,JST-PRESTO2,Department of Chemistry and Biochemistry, Graduate School of Humanities and Sciences, Ochanomizu University3,JST ACT-I4) *Hirotoshi Mori1,2, Nahoko Kuroki3,4 |
| 13:00-14:40 | 4P030 | Synthesis, structures, and properties of molecular conductors based on new ST-STP donors aiming at intramolecular charge-order state. (Graduate School of Science and Engineering, Ehime Univ.1,Research Unit for Power Generation and Storage Materials, and Research Unit for Development of Organic Superconductors, Ehime University2) *Naoya Kinoshita1, Takashi Shirahata1,2, Yohji Misaki1,2 |
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| 13:00-14:40 | 4P031 | Blue-light induced macroscopic oscillation of a crystal composed of an azobenzene derivative with an aliphatic carboxy group (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Rigaku Corp.2,Department of Chemistry, Faculty of Science, Hokkaido Univ.3) *Shinnosuke Satonaga1, Tomonori Ikegami1, Hiroyasu Sato2, Yoshiyuki Kageyama3, Sadamu Takeda3 |
| 13:00-14:40 | 4P032 | Crystal Structural Transformation of Bis-Urea Macrocycles Coupled with Gas Sorption (Graduate School of Engineering, Tohoku Univ.1,IMRAM, Tohoku Univ.2) *Guohao Yuan1, Takashi Takeda1,2, Norihisa Hoshino1,2, Tomoyuki Akutagawa1,2 |
| 13:00-14:40 | 4P033 | Molecular dynamics for inner structure of lithium ion doped plastic crystal (Sophia Univ.1,NIPPON CHEMI-CON CORPORATION2) *Koki Ishihara1, Syuichi Ishimoto2, Satoshi Kubota2, Masahiro Fujita1, Shinkoh Nanbu1 |
| 13:00-14:40 | 4P034 | Thermodynamic study of the k-type organic superconductors around Tc in the Mott boundary region (Graduate School of Science, Osaka Univ.1,the institute for solid state physics2) *Yuki Matsumura1, Shusaku Imajo2, Satoshi Yamashita1, Hiroki Akutsu1, Yasuhiro Nakazawa1 |
| 13:00-14:40 | 4P035 | Theoretical study on molecular structure dependence of third-order nonlinear optical properties for dicationic diradical systems. (Department of Chemical Engineering, National Institute of Technology, Nara College1,Graduate School of Engineering Science, Osaka University2) *Wataru Yoshida1, Kyohei Yoneda1, Masayoshi Nakano2 |
| 13:00-14:40 | 4P036 | Crystal Structure and Physical Properties of [Ni(dmit)2] Salt of Hydrogen Bonded (H-DABCO )2(DABCO) Trimers (Graduate School of Environmental Science, Hokkaido University1,Research Institute for Electronic Science, Hokkaido University2,Graduate School of Material Science, University of Hyogo3,Faculty of Environmental Earth Science, Hokkaido University4) *Simin Li1, Kiyonori Takahashi1,2, Masaki Miyahara1, Kazuya Kubo3, Shin-ichiro Noro1,4, Takayoshi Nakamura1,2 |
| 13:00-14:40 | 4P037 | Synthesis of stable porous molecular conductor consisting of naphthalenediimide ligand and chelate complex (Graduate School of Science, Tohoku Univ.1,Tohoku Univ. AIMR2,Nankai Univ.3) *Shohei Koyama1, Hiroaki Iguchi1, Shinya Takaishi1, Masahiro Yamashita1,2,3 |
| 13:00-14:40 | 4P038 | Angular dependence of electronic heat capacity against magnetic field direction in two dimensional organic superconductors (Graduate School of Science, Osaka Univ.1,The Institute for Solid State Physics, Tokyo Univ.2) *Sotaro Fukuchi1, Shusaku Imajo2, Tetsuya Nomoto1, Satoshi Yamashita1, Hiroki Akutsu1, Yasuhiro Nakazawa1 |
| 13:00-14:40 | 4P039 | Cation dependence of thermal molecular deformation of basket type polyoxometalate (Department of Science,Yamaguchi Univ.1,Graduate School of Science and Technology for Innovation, Yamaguchi Univ.2,Research Institute for Electronic Science, Hokkaido Univ.3) *Yu Watari1, Masaru Fujibayashi2, Takayoshi Nakamura3, Ryo Tsunashima2 |
| 13:00-14:40 | 4P040 | Ion Conductive Covalent Organic Framework (Graduate School of Science, Department of Chemistry, Nagoya University1,Integrated Research Consortium on Chemical Sciences (IRCCS), Nagoya University2) *Dongwan Yan1, Yang Wu2, Kunio Awaga1,2 |
| 13:00-14:40 | 4P041 | Solid–State PCET Behaviors of Mixed-Valency Re(III)Re(IV) Complex Connected with One Complementary Hydrogen Bond (Department of Chemistry, Faculty of Science, Tokyo University of Science) *Shohei Harada, Takumi Matsuno, Kazuo Isogai, Takeshi Yamane, Hajime Kamebuchi, Makoto Tadokoro |
| 13:00-14:40 | 4P042 | Exploration of degenerated neutral radical state based on a nickel dithiolene complex (Graduate School of Science, Kyoto Univ.1,Graduate School of Education, Nagaski Univ.2) *Yojiro Kimura1, Mikihiro Hayashi2, Yukihiro Yoshida1, Hiroshi Kitagawa1 |
| 13:00-14:40 | 4P043 | Electrical resistivity of (TMTTF)3[TTF(CO2)4H2] in sulphuric acid and the consideration of the crystal growth condition (AHSE, Kyoto Univ.1,Grad. Sch. of Sci., Kyoto Univ.2,Inst. Mol. Sci.3) *Manabu Ishikawa1, Keita Uenaka2, Kentaro Murakami2, Yoshiaki Nakano2, Mikio Uruichi3, Akihiro Otsuka1,2, Hideki Yamochi2 |
| 13:00-14:40 | 4P044 | Magnetic properties of cobalt ions through Pt–Rh–Rh– Pt heterometallic bonds in one–dimensional chains. (Graduate School of Natural Science, Gifu Univ.) *Rika Miyake, Masahiro Ebihara, Kazuhiro Uemura |
| 13:00-14:40 | 4P045 | Characterization of thermoelectric properties in high-entropy alloys by simulation (C-PiER, Kyoto Univ.1,E-JUST2) *Koichi Nakamura1,2 |
| 13:00-14:40 | 4P046 | Theoretical Study of the cation effects on the Band−gap of Lead Triiodide Perovskite Materials (RCAST, UTokyo1,Graduate School of Arts and Sciences, UTokyo2) *Ryota Jono1, Hiroshi Segawa2,1 |
| 13:00-14:40 | 4P047 | Theoretical investigation on molecular design of mixed crystal in metal phthalocyanines with π-d interaction (Yamaguchi Univ.1,Kumamoto Univ.2) *Michinori Sumimoto1, Hitoshi Fujimoto2 |
| 13:00-14:40 | 4P048 | [Withdraw] |
| 13:00-14:40 | 4P049 | Quantum chemical analysis on hydrogen generation mechanism in decomposition process of lubricant molecules (Graduate School of Informatics, Nagoya Univ.1,NTN2,CREST-JST3,ESICB, Kyoto Univ.4) *Motohiro Ito1,2, Yuichi Suzuki1, Hedong Zhang1, Nobuaki Koga1,3, Masataka Nagaoka1,3,4 |
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| 13:00-14:40 | 4P050 | Vibrational Spectrum of the Water Bend at the Charged Interfaces Probed by Heterodyne-Detected Sum Frequency Generation (Molecular Spectroscopy Laboratory, RIKEN1,Ultrafast Spectroscopy Research Team, RIKEN Center for Advanced Photonics2) *Ahmed Mohammed1,2, Satoshi Nihonyanagi1,2, Tahei Tahara1,2 |
| 13:00-14:40 | 4P051 | Construction of a near-infrared ultrabroadband multiplex CARS spectrometer for total internal reflection measurement (Graduate School of Pure and Applied Sciences, Tsukuba Univ.) *Masayuki Ishikawa, Masanari Okuno, Taka-aki Ishibashi |
| 13:00-14:40 | 4P052 | Analyses of potential-dependent local structure and dynamics of interfacial ionic liquids on organic semiconductors using molecular dynamics simulation (Graduate School of Engineering Science, Osaka Univ.1,Graduate School of Engineering, Osaka Univ.2) *Taiki Sato1, Hiroo Miyamoto1, Ichiro Tanabe1, Kouji Inagaki2, Yoshitada Morikawa2, Ken-ichi Fukui1 |
| 13:00-14:40 | 4P053 | Determination of injection barrier at metal/organic interface using accumulated charge measurement (Graduate School of Material Science, University of Hyogo1,Graduate School of Engineering, University of Hyogo2) *Akinari Ogino1, Toshiaki Tanimura1, Takeshi Komino1, Tokuji Yokomatsu2, Kazusuke Maenaka2, Hiroyuki Tajima1 |
| 13:00-14:40 | 4P054 | Charge separation of exitons on the heterojunction of a perovskite thin film (Faculty of Science, Josai Univ.1,Graduate School of Science, Josai Univ.2) Yuki Saito1, Kotaku Ideshima1, Ayano Higashimura1, *Koichiro Mitsuke1,2 |
| 13:00-14:40 | 4P055 | Theoretical study of the solvent structure around solid/liquid interface with DFTB and 3D-RISM (Graduate School of Science, Nagoya University1,Graduate School of Arts and Science, The University of Tokyo2) *Shota Nakataki1, Kunio Awaga1, Daisuke Yokogawa2 |
| 13:00-14:40 | 4P056 | Ion species dependence of hysteresis behavior at the interfaces of Pt electrode and ionic liquids (Department of Materials Science and Engineering, Tokyo Tech.1,Department of Chemistry, Shanghai Univ.2,Sogang Univ.3) *Takashi Iwahashi1, Wei Zhou2, Doseok Kim3, Yukio Ouchi1 |
| 13:00-14:40 | 4P057 | Unveiling the role of hydration during the interfacial transport process of hydrophilic ion using free energy calculation (Tohoku Unversity1,ESCIB, Kyoto University2) *Lingjian Wang1, Nobuaki Kikkawa1, Akihiro Morita1,2 |
| 13:00-14:40 | 4P058 | Theoretical study on charge separation process in organic semiconductors (Toyo Univ1,Kobe Univ2) *Motomichi Tashiro1, Tomomi Shimazaki2 |
[Clusters/particles/nanostructures]
| 13:00-14:40 | 4P059 | Surface treatment of Ag nanowire for surface enhanced Raman scattering (Graduate School of Information Science and Technology, Hokkaido University1,Research Institute for Electronic Science, Hokkaido University2) *Natsuki Hori1, Kenji Hirai1,2, Tomoko Inose1,2, Hiroshi Ujii1,2 |
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| 13:00-14:40 | 4P060 | Preparation of gold nanoparticles coated with a flavonoid compound and dispersibility controls of them (Aichi Univ. of Edu.) *Kazuyuki Hino, Eri Tsunoda, Fumine Nishio, Aoi Fujita, Ruriko Shibata |
| 13:00-14:40 | 4P061 | Gas phase spectroscopy of cytchrome c isolated by using an infrared-laser ablation of droplet beam (Gakushuin University) *Yuri Nakamura, Norishi Kawauchi, Hiroya Asami, Jun-ya Kohno |
| 13:00-14:40 | 4P062 | Synthesis of Au-Pt alloy nanoparticles with heat-responsive polymer under hydrothermal conditions (Graduate School of Science, Chiba Univ.1,Graduate School of technology, Utsunomiya Univ.2) *Takuya Suzuki1, Nobuo Uehara2, Takeshi Morita1 |
| 13:00-14:40 | 4P063 | Photo-induced electron transfer from Cu nanoparticles to methylviologen by using clay as a reactive site (Graduate School of Science and Engineering, Chuo University1,Faculty of Science and Engineering, Chuo University2) *Akane Shibusawa1, Masaya Miyagawa2, Hideki Tanaka2 |
| 13:00-14:40 | 4P064 | Simple synthesis and spectroscopic characterization of gold cluster in water/dodecanethiol (Graduate School of Science and Engineering, Kagoshima Univ.) *Hiroki Ikemoto, Mio Tameike, Aki Mihata, Junichi Kurawaki |
| 13:00-14:40 | 4P065 | Synthesis and characterization of chiral Au13 clusters (Graduate School of Environmental Science, Hokkaidou Univ.) *Yuri Ogawa, Mizuho Sugiuchi, Yukatsu Shichibu, Katsuaki Konishi |
| 13:00-14:40 | 4P066 | Construction New Photoresponsive Systems using Semiconductor Nanoparticles - Diarylethene Derivatives and their Interaction (Graduate School of Science and Technology, Kwansei Gakuin Univ.1,Graduate School of Science and Technology, Rikkyo Univ.2) *Yuta Usui1, Daiki Shibayama1, Kenta Uemoto1, Ken Kinoshita1, Tetsuro Katayama1, Masakazu Morimoto2, Naoto Tamai1 |
| 13:00-14:40 | 4P067 | Catalytic activity of Au nanoring supported by Pd nanosheet for p-nitrophenol reduction reaction (Faculty of Science, Tokyo University of Science) *Yushi Yabuki, Takumi Takatsuki, Yukie Yokota, Kazuo Watanabe |
| 13:00-14:40 | 4P068 | Development of superatom synthesis using dendrimer template for bismuth element (Lab. Chem. Life Sci., Tokyo Tech.1,JST-ERATO2) *Reina Hosono1, Tetsuya Kambe1,2, Shotaro Imaoka1, Takane Imaoka1,2, Kimihisa Yamamoto1,2 |
| 13:00-14:40 | 4P069 | The single-particle photoluinescent microscopy of Ag13Au12 alloy cluster (Graduate School of Science, Rikkyo Univ.) *Yuki Kobayashi, Yoshiki Niihori, Masaaki Mitsui |
| 13:00-14:40 | 4P070 | Exciton Dynamics of CsPbX3 - Pt (Graduate School of Science and Technology, Kwansei Gakuin University) *Takuya Sukeyoshi, Tetsuro Katayama, Naoto Tamai |
| 13:00-14:40 | 4P071 | Centrifugal purification of gold nanorods by using CTAB/EG density gradient system and formation of the ordered structure of polymer-capped gold nanorods induced by an external electric field (Aichi Univ. of Edu.1,Grad. Sch. of Sci. and Tech., Gunma Univ.2) *Toshiaki Fukagawa1, Mana Kumagai1, Kazuyuki Hino1, Yoshikiyo Hatakeyama2 |
| 13:00-14:40 | 4P072 | High-resolution mobility measurement on graphene quantum dots using ion trap ion mobility measurement system (Dept. of Chem., Toho Univ.) *Yudai Hoshino, Fumiaki Uchiyama, Toshiki Sugai |
| 13:00-14:40 | 4P073 | Development of ion focusing system for ion mobility spectrometry mass spectrometry (Dept. of Chem., Toho Univ.) *Natsuki Terada, Toshiki Sugai |
| 13:00-14:40 | 4P074 | Infrared spectroscopy of H-pi H-bond complex of isoprene (AIST) *Fumiyuki Ito |
| 13:00-14:40 | 4P075 | High sensitivity observation of initial process of chemical reaction by droplets collision and Raman image analysis. (Gakushuin University) *Shuhei Suzuki, Jun-ya Kohno |
| 13:00-14:40 | 4P076 | Exciton dynamics and carrier mobility of ZnSe quantum dot (Science, Kwansei Univ.) *Yoko Tanabe, Syota Kori, Yuta Usui, Teturou Katayama, Naoto Tamai |
| 13:00-14:40 | 4P077 | The relationship between red-shift of the absorption maximum and twisted structure of retinal in KR2 (Nagoya Inst. Tech.1,PRESTO, JST2,The University of Tokyo3) *Sahoko Tomida1, Shota Ito1, Keiichi Inoue1,2,3, Hideki Kandori1 |
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| 13:00-14:40 | 4P078 | Formation of three-dimensional dark hole by composite phase plate in super-resolution microscopy (NTT Advanced Technology Corporation1,Kitasato University2,Budapest University of Technology and Economics3,Olympus Corporation4) *Koumei Nagai1, Akira Kodaira1, Takashi Maruyama1, Satoshi Oku1, Hiroshi Kumagai2, Nandor Bokor3, Yoshinori Iketaki2,4 |
| 13:00-14:40 | 4P079 | Mechanical stabilization of cryogenic single-molecule microscope (Department of Physics, Tokyo Tech) Namiki Tominaga, Michio Matsushita, *Satoru Fujiyoshi |
| 13:00-14:40 | 4P080 | Development of 3D camera for 3D imaging of an individual molecule in biological sample (Dept. Physics, Tokyo Tech.) *Tsuyoshi Matsuda, Satoru Fujiyoshi, Michio Matsushita |
| 13:00-14:40 | 4P081 | Syntheses of hybrid liposomes and artificial domains incorporating metal complex lipids (Graduate School of Science and Technology, Kumamoto Univ.1,Faculty of Advanced Science and Technology,Kumamoto Univ.2,Faculty of Advanced Science and Technology,Kumamoto Univ.3) *Yuka Anegawa1, Ryo Ohtani2, Shinya Hayami3 |
| 13:00-14:40 | 4P082 | Research on the isotopic effect of the carboxylation by RuBisCO using free energy analysis (Graduate School of Science and Technology, Sophia Univ1,Department of Nanosystem Science, YCU2) *Tenryu Kyo1, Kenta Moriwaki1, Osamu Kobayashi2, Sebastian Danielache1, Shinkoh Nanbu1 |
| 13:00-14:40 | 4P083 | Decomposition process of deoxyribose induced by oxygen K-ionization (National Institutes for Quantum and Radiological Science and Technology1,IMPMC, Sorbonne Universités - UPMC Univ Paris 062,Université d'Evry val d'Essonne3) *Kentaro Fujii1, Marie anne Herve du penhoat2, Marie francoise Politis3, Akinari Yokoya1 |
| 13:00-14:40 | 4P084 | Competitive Self-reproduction between Giant Vesicle-based Artificial Cells (Graduate School of Science, Kanagawa Univ.1,Graduate School of Arts and Sciences, Univ. of Tokyo2) *Yuiko Hirata1, Muneyuki Matsuo2, Kentaro Suzuki1, Tadashi Sugawara1 |
| 13:00-14:40 | 4P085 | Polarized infrared and Raman spectroscopic study on molecular structure and orientation of spider’s thread (Graduate School of Natural Sciences, Nagoya City University1,National Agriculture and Food Research Organization2,JASCO Corporation3) *Norihisa Katayama1, Mitsuhiro Miyazawa2, Takeo Fukushima3, Masaaki Yumoto3, Ken-ichi Akao3 |
| 13:00-14:40 | 4P086 | Study on light harvesting of photosystem I by observations of single molecule excitation spectra (Graduate School of Science, Tohoku Univ.1,Reserch Institute for Interdisciplinary Science, Okayama Univ.2,Graduate School of Science, Nagoya Univ.3) *Takanori Kobayashi1, Sankar Jana1, Ryo Nagao2, Takumi Noguchi3, Yutaka Shibata1 |
| 13:00-14:40 | 4P087 | Isotope effect study of protonated water clusters using variational path integral molecular dynamics method (Graduate School of Natural Science and Technology, Kanazawa Univ.) *Hiroki Sugisawa, Tomonori Ida, Shinichi Miura |
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| 13:00-14:40 | 4P088 | Theoretical design of the qubit molecular device made by enclosing a single atom in a nanocarbon tetrahedron (Graduate School of Science, Tokai Univ.) *Sayako Okumura, Shigeru Ishikawa |
| 13:00-14:40 | 4P089 | Theoretical analysis of DNA characteristics and interaction changes exerted by nucleic acids containing fluorine substituent (Graduate School of Medicine, Osaka University1,Graduate School of Pharmaceutical Sciences, Osaka University2,Translational Research Laboratory, Taiho Pharmaceutical Co., Ltd.3) *Jun Koseki1, Masamitsu Konno1, Ayumu Asai1, Naohiro Horie2, Kenta Tsunekuni3, Koichi Kawamoto1, Taroh Satoh1, Satoshi Obika2, Yuichiro Doki1, Masaki Mori1, Hideshi Ishii1 |
| 13:00-14:40 | 4P090 | High pressure effect on the molecular properties and molecular piezoresponse studied by quantum chemical method (Elements Strategy Initiative for Catalysts and Batteries, Kyoto University) *Ryoichi Fukuda |
| 13:00-14:40 | 4P091 | First principle study on alylaiton process of Ziegler-Natta catalysis (Kyushu Univ.) Hiroki Sakaue, *Shinobu Gan, Wataru Mizukami, Yuriko Aoki |
| 13:00-14:40 | 4P092 | A Monte Carlo simulation for intermolecular interaction of 2D spin-crossover compounds using the Ising-like model (Graduate School of Science, Japan Women's Univ.) *Saho Kajikawa, Azusa Muraoka |
| 13:00-14:40 | 4P093 | Theoretical study on the reduction of nitrite to ammonia on a diruthenium complexex (IMCE, Kyushu Univ.1,Graduate School of Engineering, Kyushu Univ.2,School of Liberal Arts and Sciences, Daido Univ.3,Graduate of School of Engineering, Nagasaki Univ.4) *Akihito Egi1, Kei Ikeda2, Hiromasa Tanaka3, Yoshihito Shiota1, Yasuhiro Arikawa4, Kazunari Yoshizawa1 |
| 13:00-14:40 | 4P094 | Theoretical Study on Intermolecular Packing Effect of Third-Order Nonlinear Optical Properties Induced by Singlet Fission (Graduate School of Engineering Science, Osaka Univ.) *Takayoshi Tonami, Takanori Nagami, Masaki Yamane, Kenji Okada, Ryohei Kishi, Masayoshi Nakano |
| 13:00-14:40 | 4P095 | Prediction of the reactivity and reaction mechanism of the B≡B triple bond of newly synthesized diboryne. A quantum mechanical study. (Faculty of Science, Kanagawa Univ.) Ryouga Yamasaki, Tomonori Hori, Mana Morikubo, *Toshiaki Matsubara |
| 13:00-14:40 | 4P096 | Path integral molecular dynamics exploration of the static and dynamic detailed states and the influence of the atomic quantum nature in the supercritical helium-4 (Graduate School of Humanities and Sciences, Nara Women’s University) Ayumi Takemoto, *Kenichi Kinugawa |
| 13:00-14:40 | 4P097 | Theoretical study on open-shell character and nonlinear optical properties of Pyridinium N-Phenoxide Betaine and its π-extended systems (Grad. Sch. of Eng. Sci., Osaka Univ.1,Institute for Molecular Science2) *Koki Watanabe1, Ryohei Kishi1, Akihito Shimizu1, Masayoshi Nakano1,2 |
| 13:00-14:40 | 4P098 | Theoretical study on dissociative recombination reaction of NH2+ + e- by AIMD and electron dynamics simulation (Graduate school of Chemical Sciences and Engineering, Hokkaido Univ.1,Graduate school of Science, Hokkaido Univ.2) *Takuya Koyama1, Tomoko Akama2, Tetsuya Taketsugu2 |
| 13:00-14:40 | 4P099 | Molecular dynamical simulation approach for small-molecule ligands binding to mismatched base-pair site of nucleic acid duplex (Grad. Sch. Sci., Osaka Univ.1,ISIR, Osaka Univ.2,CSS, Tsukuba Univ.3,INSD, Osaka Univ.4) *Koichi Miyagawa1,2, Mitsuo Shoji3, Kazuhiko Nakatani2, Yasuteru Shigeta3, Kizashi Yamaguchi2,4 |
| 13:00-14:40 | 4P100 | Theoretical analysis of the active site opening mechanism in olefin polymerization reaction by ansa-zirconocene catalyst (Graduate School of Informatics, Nagoya University1,Core Research for Evolutional Science and Technology, Japan Science and Technology Agency2,Graduate School of Information Science, Nagoya University3,The Center for Data Science Education and Research, Shiga University4,Future Value Creation Research Center, Nagoya University5,Elements Strategy Initiative for Catalysts and Batteries, Kyoto University6) *Yuichi Tanaka1,2, Hirokazu Moriya1, Kentaro Matsumoto3, Sandhya Karakkadparambil sankaran2,3, Masayoshi Takayanagi4, Nobuaki Koga1,2,5, Masataka Nagaoka1,2,5,6 |
| 13:00-14:40 | 4P101 | First-Principles Molecular Dynamics Study of Interface Between Electrode and Electrolyte in All-Solid State Lithium-Ion Battery (Fuji Film Corporation1,NIMS2,AIST3) *Yukihiro Okuno1, Yoshitaka Tateyama2, Keitaro Sodeyama2, Jun Haruyama3 |
| 13:00-14:40 | 4P102 | Molecular dynamics simulations and theoretical analysis of liquid pyrenes (Department of Chemistry, Kyoto University1,National Institute for Materials Science2) *Yuki Yamamoto1, Takashi Nakanishi2, Shigehiko Hayashi1 |
| 13:00-14:40 | 4P103 | Global reaction route map of NO reduction on Pt(111) surface (Hokkaido Univ.1,Hokkaido Univ.2) *Kanami Sugiyama1, Kenichiro Saita2, Satoshi Maeda2 |
| 13:00-14:40 | 4P104 | Asymmetry of electronic chirality between enantimomers and origin of homochirality in nature (Department of Micro Engineering, Kyoto University) *Tomoki Shimizu, Masato Senami |
| 13:00-14:40 | 4P105 | Theoretical study of the excited-state branching reaction of stilbene derivatives (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ., Japan1,Department of Chemistry, Faculty of Science, Hokkaido Univ., Japan2) *Takuro Tsutsumi1, Rina Yamamoto1, Yu Harabuchi2, Satoshi Maeda2, Tetsuya Taketsugu1,2 |
| 13:00-14:40 | 4P106 | Theoretical Study on the geometrical effect to TADF processes (Osaka Prefecture University1,Tohoku University2,Niigata University3,JNC4) *Shiro Koseki1, Toshio Asada1, Yuichi Fujimura2, Noriyuki Shimakura3, Manabu Kanno2, Hirohiko Kono2, Takeshi Matsushita4 |
| 13:00-14:40 | 4P107 | Theoretical study on addition of the water to the prism type Br-(H2O)5 cluster (Faculty of Engineering, Chiba Institute of Technology1,Faculty of Science and Technology, Keio University2) *Fumiaki Ozawa1, Suehiro Iwata2, Hidenori Matsuzawa1 |
| 13:00-14:40 | 4P108 | Theoretical ligand design of Ir(ppy)3 analogues toward the blue phosphorescent complex (Grad. Sch. Eng. Sci., Osaka Univ.) *Yasutaka Kitagawa, Shogo Aoki, Rena Teramoto, Moe Tominaga, Hayato Tada, Iori Era, Takuya Fujii, Masayoshi Nakano |
| 13:00-14:40 | 4P109 | Effects of hydrated ion on the hydrogen bonds between water and water : Na+(H2O)6 (Faculty of Engineering, Chiba Institute of Technology1,Faculty of Science and Technology, Keio University2) *Chisa Furukawa1, Suehiro Iwata2, Hidenori Matsuzawa1 |
| 13:00-14:40 | 4P110 | Process Analysis of Massively Parallel Exploration of GRRM 1.22 (Institute for Quantum Chemical Exploration) *Hiromasa Watanabe, Hiroaki Tokoyama, Koichi Ohno |
| 13:00-14:40 | 4P111 | Theoretical study on aryl isocyanides adsorbed on the metal surface (北大院総化1,北大院理2,京大, ESICB3) *Ben Wang1, Min Gao2,3, Tetsuya Taketsugu1,2,3 |
| 13:00-14:40 | 4P112 | Accurate & Efficient analysis of electronic states for the reaction on nanotube surfaces (Faculty of Engineering Sciences, Kyushu University1,St. Petersburg State Univ.2) Anna Pomogaeva1,2, Yuuichi Orimoto1, *Yuriko Aoki1 |
| 13:00-14:40 | 4P113 | Selective binding of bioactive small molecules at negatively charged coordination environment —from heme to non-heme active sites (Nagoya Inst. Tech.1,Gifu Univ.2) *Yuko Wasada-tsutsui1, Hiroaki Wasada2, Takuma Yano1, Tomohiko Inomata1, Tomohiro Ozawa1, Hideki Masuda1 |
| 13:00-14:40 | 4P114 | DFT Study of the Effects of alkane substituents at Thiolate-Bridged Diruthenium Complexes for Catalytic Oxidation of Molecular Dihydrogen (Faculty of Pharmaceutical Sciences, Toho Univ.1,Faculty of Pharmaceutical Sciences, Hoshi Univ.2,School of Engineering, Univ. of Tokyo3) *Ken Sakata1, Syoma Kikuchi2, Masahiro Yuki3, Kazunari Nakajima3, Yoshiaki Nishibayashi3 |
| 13:00-14:40 | 4P115 | Effective electric field for measurement of electron electric dipole and spin torque in diatomic molecules (Department of Micro Engineering, Kyoto University) *Toshiki Takahashi, Masato Senami |
| 13:00-14:40 | 4P116 | Computational analysis of the XANES spectra of vanadium complexes: A TD-DFT study (Department of Chemistry, Tokyo Metropolitan Univ.) *Jun Yi, Naoki Nakatani, Masahiko Hada, Ken Tsutsumi, Kotohiro Nomura |
| 13:00-14:40 | 4P117 | Automatic selection of Gaussian bases placed in phase space : Application to multidimensional tunneling and electron dynamics (Graduate School of Science, Tohoku University) *Kazuma Suzuki, Yuta Arai, Manabu Kanno, Hirohiko Kono |
| 13:00-14:40 | 4P118 | Quantum control of isotope-selective rovibrational excitations including two-photon processes (QST1,JAEA2) *Yuzuru Kurosaki1, Keiichi Yokoyama2 |
| 13:00-14:40 | 4P119 | Correlation between structure features and band gap of carbon crystal structures (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ1,Graduate School of Science, Hokkaido Univ2) *Makito Takagi1, Satoshi Maeda2 |
| 13:00-14:40 | 4P120 | Transient absorption spectroscopy of butadiene by time-dependent configuration interaction method (School of Science, The University of Tokyo1,Institute of Chemistry, Chinese Academy of Sciences, China2) Wenhong Yang2, Erik Loetstedt1, *Kaoru Yamanouchi1 |
| 13:00-14:40 | 4P121 | Theoretical understanding and rational design of aggregation induced emission molecule (Kyoto Univ. FIFC) *Satoshi Suzuki |
| 13:00-14:40 | 4P122 | Hartree-Fock calculations of model DNA(2) (Faculty of Science, Josai Univ.1,Faculty of Engineering Sciences, Kyushu Univ.2) *Hiroyuki Teramae1, Yuriko Aoki2 |
| 13:00-14:40 | 4P123 | Calculation of zero-field splitting tensor of organic compounds by the triplet SAC-CI method (Graduate School of Science, Osaka City University) *Kazuo Toyota, Kenji Sugisaki, Kazunobu Sato, Daisuke Shiomi, Takeji Takui |
| 13:00-14:40 | 4P124 | A molecular dynamics study on factors that determine the stability of the salt bridge located in the antigen-antibody interface. (Graduate School of Arts and Sciences, The University of Tokyo1,Research Center for Advanced Science and Technology, The University of Tokyo2) *Ryo Okajima1,2, Shuichi Hiraoka1, Takefumi Yamashita2 |
| 13:00-14:40 | 4P125 | The development of exchange-correlation functional using machine lerning (School of Advanced Science and Engineering, Waseda Univ.1,Research Institute for Science and Engineering, Waseda Univ.2,ESICB, Kyoto Univ.3) *Takuro Nudejima1, Yasuhiro Ikabata2, Junji Seino2, Ryo Kageyama1, Mikito Fujinami1, Hiromi Nakai1,2,3 |
| 13:00-14:40 | 4P126 | Temperature dependence of nuclear spin conversion rate of H2O isolated in solid Xe (Department of Physics, Gakushuin Univ.) *Koichiro Yamakawa, Kiwa Yamaguchi, Ichiro Arakawa |