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ID：molsci2019 PASS：pY4ZX-BlsGw1
Friday, September 20 (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
| 10:20-12:00 | 4P001 | Cold ion trap laser spectroscopy of carboxylic acid-alkaline earth metal clusters - Hydration effect on ionization process- (Lab for Chemistry and Life Science, Tokyo Institute of Technology1,Department of Science, Tokyo University of Science2) Tatsuya Yoshinaga1, *Keisuke Hirata1, Hikaru Takayanagi2, Naoya Takeda1, Shun-ichi Ishiuchi1, Koichi Tsukiyama2, Masaaki Fujii1 |
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| 10:20-12:00 | 4P002 | Coincidence measurement of three-dimensional momentum of tunneling electrons and ions from O2 in intense laser fields (Grad. Sch. Science, Nagoya U1,RCMS, Nagoya U2) *Daimu Ikeya1, Hikaru Fujise1, Akitaka Matsuda1, Mizuho Fushitani1, Akiyoshi Hishikawa1,2 |
| 10:20-12:00 | 4P003 | Ultrafast photolysis of o-nitrophenol studied by time-resolved photoelectron spectroscopy (Department of Applied Physics, Hokkaido Univ.1,AlbaNova University Centre, Stockholm Univ.2,Department of Chemistry, Hokkaido Univ.3) *Yuki Nitta1, Oliver Schalk2, Ryo Wada3, Takuro Tsutsumi3, Tetsuya Taketsugu3, Keisuke Kaneshima1, Taro Sekikawa1 |
| 10:20-12:00 | 4P004 | Quantum chemical calculation and low-temperature matrix-isolation study of thionyl chloride–ROH (R=CH3, H) complex (Faculty of Science and Engineering, Iwate Univ.) *Eiichi Suzuki, Natsuki Iio, Gaku Taguchi, Hitoshi Yashiro |
| 10:20-12:00 | 4P005 | tunnel ionization of photo-excited NO2 molecule (IMRAM, Tohoku University) Shejuty Aktar, *Misaki Okunishi, Kiyoshi Ueda |
| 10:20-12:00 | 4P006 | Excited-state geometries of p-benzoquinone and its tetra-substituted derivatives: SAC-CI study (Graduate School of Engineering, Kyoto Univ.1,ESICB, Kyoto Univ.2) *Kaho Nakatani1, Ryoichi Fukuda2,1 |
| 10:20-12:00 | 4P007 | Radiative lifetime and collisional relaxation dynamics in the ion-pair states of halogen molecules (Graduate School of Science, Tokyo Univ. of Science1,Graduate School of Information Sciences, Hiroshima City Univ.2,Department of Environmental Sciences, Tokyo Gakugei Univ.3) *Daichi Nishimichi1, Rin Abe1, Shoma Hoshino1, Yukio Nakano3, Takashi Ishiwata2, Koichi Tsukiyama1 |
| 10:20-12:00 | 4P008 | Creation and control of unidirectional molecular rotational wave packets using ultrashort pulses (Department of Chemistry, School of Science, Tokyo Institute of Technology) *Naoya Sakamoto, Kenta Mizuse, Romu Fujimoto, Yasuhiro Ohshima |
| 10:20-12:00 | 4P009 | Saturated absorption spectroscopy of triplet excited state of N2 using NIR laser (Graduate School of Science, Tokyo Institute of Technology) *Kyoko Miyashita, Hideto Kanamori |
| 10:20-12:00 | 4P010 | UV and IR spectroscopy of crown ether complexes with ammonium ion under cold gas-phase condition (Graduate School of Science, Hiroshima University) *Mayuko Kubo, Satoru Muramatsu, Yoshiya Inokuchi |
| 10:20-12:00 | 4P011 | Electron impact excitation spectroscopy of electronically excited H2 (School of Science, The University of Tokyo1,Ludwig Maximilian University of Munich2,Max-Planck-Institute of Quantum Optics3) *Takashi Hiroi1, Yuya Morimoto2,3, Reika Kanya1, Kaoru Yamanouchi1 |
| 10:20-12:00 | 4P012 | Ultrafast dissociating dynamics of electronically highly-excited N2+ investigated by pump-probe measurements using high-order harmonics and near-infrared laser pulses (1. Department of Chemistry, School of Science, The University of Tokyo) *Kana Yamada, Toshiaki Ando, Atsushi Iwasaki, Kaoru Yamanouchi |
| 10:20-12:00 | 4P013 | Reaction rate constants of the reaction of ScO radical with oxygen in gas phase (Faculty of Science Japan Women's Univ.1,Faculty of Science Ochanomizu Univ.2) *Takashi Imajo1, Nami Yamakita1, Tsuneo Hirano2 |
| 10:20-12:00 | 4P014 | Infrared spectroscopy of hydrated phenol cations by IR-UV double resonance technique (School of Science, Kitasato Univ.1,Graduate School of Science, Kitasato Univ.2) *Masayoshi Ozeki1, Masataka Orito2, Hikaru Sato2, Yasutoshi Kasahara1, Haruki Ishikawa1 |
| 10:20-12:00 | 4P015 | Microwave spectroscopy of 5-Methyl Hydantoin (Department of Environmental Science, Toho University1,Department of Physics, Toyama University2) *Minami Awazu1, Hiroyuki Ozeki1, Soichiro Watanabe1, Kaori Kobayashi2 |
| 10:20-12:00 | 4P016 | Coulomb explosion imaging of CS2 in ultrashort intense laser fields: Recollision-induced multiple ionization process (Grad. Sch. Science, Nagoya U1,RCMS, Nagoya U2) *Akitaka Matsuda1, Shota Goto1, Akiyoshi Hishikawa1,2 |
| 10:20-12:00 | 4P017 | Dissociative ionization study of hydrofluorocarbon using intense phase-controlled laser fields (Advanced Industrial Science and Technology) *Kenichi Okutsu, Naoaki Saito, Hideki Ohmura |
| 10:20-12:00 | 4P018 | Analysis of Spectral Lineshape of O2-O2 Collision-induced Absorption Measured by Highly Sensitive Absorption Spectroscopy (College of Science and Engineering, Aoyama Gakuin University1,Faculty of Science, Kanagawa University2) *Wataru Kashihara1, Kawai Akio2 |
| 10:20-12:00 | 4P019 | Anharmonic vibrational calculation in the CH stretching vibrational region of C6H5-CH2X (X = H, Cl, Br) (Graduate School of Science, Fukuoka Univ.) *Shuhei Yamaguchi, Yuji Yamada, Yoshinori Nibu |
| 10:20-12:00 | 4P020 | Dynamic fluctuation of water-alcohol mixtures by Brownian motion in optical trap (Nihon Univ. CHS) *Koki Yamazoe, Satoshi Shibuta, Ken Judai |
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| 10:20-12:00 | 4P021 | Local structure of alcohol aqueous solutions by Brownian motion of surface modified polystyrene beads (Nihon Univ.) *Kaho Nishiyama, Satoshi Shibuta, Ken Judai |
| 10:20-12:00 | 4P022 | Investigation of the Sustain Effect Mechanism for Supersaturation State Using Oxybuprocaine (Faculty of Pharmaceutical Sciences, Tokyo University of Science1,Teikoku Seiyaku Co.2) *Momoko Fujita1, Yohsuke Shimada1, Yuta Otsuka1, Satoru Goto1, Katsuyuki Inoo2 |
| 10:20-12:00 | 4P023 | Conformation of two deep eutectic solvents with choline chloride observed with Raman spectroscopy (Gakushuin Univ.) *Naoki Sakurai, Koichi Iwata |
| 10:20-12:00 | 4P024 | Tracking choline chloride/urea deep eutectic solvent formation with Raman microspectroscopy (Kwansei Gakuin Univ.) *Tsung-han Liu, Shinsuke Shigeto |
| 10:20-12:00 | 4P025 | Study for electronic states of cyclohexane and methylcyclohexane using Far-UV spectroscopy (School of Science and engineering, Kindai University) *Yusuke Morisawa, Yugo Higaki |
| 10:20-12:00 | 4P026 | Theoretical elucidation of peculiar solution structure in hydrate-melt electrolyte (Graduate School of Engineering, The Univ. of Tokyo1,ESICB, Kyoto Univ.2,GREEN, National Institute for Materials Science3) *Kasumi Miyazaki1, Norio Takenaka1,2, Eriko Watanabe1, Shota Iizuka3, Yuki Yamada1,2, Yoshitaka Tateyama3,2, Atsuo Yamada1,2 |
| 10:20-12:00 | 4P027 | Charge transfer to solvent reaction in tetrabutylammonium iodide molecular layer in aqueous solution (Graduate School of Science, Kyoto University) *Shutarou Karashima, Toshinori Suzuki |
| 10:20-12:00 | 4P028 | Comparison of spectral properties between 2- and 3-hydroxy benzoic acids (Dept. of chemistry, Kyushu University, Japan) *Masaya Kawamura, Koki Yokota, Kazuhiko Ohashi |
| 10:20-12:00 | 4P029 | Elucidation of the cooperative dissociation process of J-aggregate induced by the density fluctuation of a mixed solvent (Graduate School of Science,Osaka City Univ.) *Mio Harada, Tomoyuki Yatsuhashi, Kenji Sakota |
| 10:20-12:00 | 4P030 | Brownian Motion in 2-propanol Aqueous Solution (Ariake National College of Tech.1,Nihon Univ.2) *Kazuki Furukawa1, Ken Judai2 |
| 10:20-12:00 | 4P031 | Application of polyoxometalate materials as sodium battery cathode and their reaction mechanism (Kwansei Gakuin University1,Kanagawa University2) *Hirofumi Yoshikawa1, Syuya Hatao1, Zhenxin Zhang2, Wataru Ueda2 |
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| 10:20-12:00 | 4P032 | Introduction of molecular chirality into layered perovskite-type photovoltaic lead(II) iodides (Graduate School of Science, Tohoku Univ.1,IMR, Tohoku Univ2) *Po-jung Huang1, Kouji Taniguchi1,2, Hitoshi Miyasaka1,2 |
| 10:20-12:00 | 4P033 | Synthesis and physical properties of porous molecular conductors with two-dimensional structure (Graduate School of Science, Tohoku Univ.1,Advanced Institute for Materials Research, Tohoku Univ.2,School of Materials Science and Engineering, Nankai Univ., China3) *Kentaro Fuku1, Momoka Miyata1, Hiroaki Iguchi1, Shinya Takaishi1, Masahiro Yamashita1,2,3 |
| 10:20-12:00 | 4P034 | Structure and luminescent behavior of hydrogen-bonding dinuclear Pt complexes (Tokyo Univ. of Sci.) *Hiroki Nagatome, Hajime Kamebuchi, Makoto Tadokoro |
| 10:20-12:00 | 4P035 | Behavior and hydration structure of saccharides confined to molecule-based nanoporous crystal (Tokyo University of Science) *Takaya Kouchi, Yuki Ohata, Hirosato Kamiyama, Hajime Kamebuchi, Makoto Tadokoro |
| 10:20-12:00 | 4P036 | Crystal structure and physical property of ion hydrate stabilized in molecule-based nanoporous crystal (Tokyo Univ. of Sci.) *Kaori Kasai, Taku Imaizumi, Hajime Kamebuchi, Makoto Tadokoro |
| 10:20-12:00 | 4P037 | Syntheses and field-effect transistor characteristics of novel nickel-dithiolene complexes with methoxybenzene moieties (The Institute for Solid State Physics, The University of Tokyo) *Lei Zhang, So Yokomori, Dongwei Zhang, Shun Dekura, Hatsumi Mori |
| 10:20-12:00 | 4P038 | Structural phase transition of an iron(III) dithiolene complex showing peculiar magnetic behavior (Dept. of Chem., Nagoya Univ.) *Rie Suizu, Yoshiaki Shuku, Kunio Awaga |
| 10:20-12:00 | 4P039 | Edffect on electrochemical properties in structural change of LiF-NiO cathode active material (Graduate School of Integrated Science and Technology, Shizuoka Univ.1,Graduate School of Science and Technology, Shizuoka University2) *Maino Igo1, Hiromasa Nasu1, Noritaka Kimura2, Yasumasa Tomita1,2 |
| 10:20-12:00 | 4P040 | Exploration of Selectively Synthesis Condition for Metastable Metal-Organic Frameworks by Using Machine Learning Approaches (Graduate School of Science and Technology, KWANSEI GAKUIN UNIVERSITY1,JST PRESTO2) *Yu Kitamura1, Emi Terado1, Daisuke Tanaka1,2 |
| 10:20-12:00 | 4P041 | Structure and conductive properties of naphthalenediimide-based molecular conductors (Department of Chemistry, Graduate School of Science, Tohoku Univ.1,Advanced Institute for Materials Research, Tohoku Univ.2,School of Materials Science and Engineering, Nankai Univ.3) *Shuntaro Yamanaka1, Hiroaki Iguchi1, Shinya Takaishi1, Masahiro Yamashita1,2,3 |
| 10:20-12:00 | 4P042 | Synthesis and Physical Properties of Benzenecarboxamides Bearing Hydrophilic −CONH(CH2CH2O)3CH3 Chains (Graduate School of Engineering, Tohoku Univ.1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku Univ.2) *Xiaozhu Jing1, Takashi Takeda1,2, Norihisa Hoshino1,2, Tomoyuki Akutagawa1,2 |
| 10:20-12:00 | 4P043 | Spectroscopic study of electric polarization in a valence-tautomeric metal complex (Okayama Univ. of Sci.1,IMCE Kyushu Univ.2,Dpt. of Chem, Kobe Univ.3) *Takumi Chinen1, Mishiki Watanabe1, Shinji Kanegawa2, Yoshihito Shiota2, Kazunari Yoshizawa2, Kazuyuki Takahashi3, Osamu Sato2, Kaoru Yamamoto1 |
| 10:20-12:00 | 4P044 | Molecular dynamics for inner structure of anion mixed plastic crystal (Sophia Univ.1,NIPPON CHEMI-CON CORPORATION2) *Koki Ishihara1, Syuichi Ishimoto2, Satoshi Kubota2, Masahiro Fujita1, Shinkoh Nanbu1 |
| 10:20-12:00 | 4P045 | Water Molecule Induced Magnetic Switching in Mononuclear Cobalt(II) Complex (Graduate School of Science and Technology, Kumamoto Univ.) *Fumiya Kobayashi, Shinya Hayami |
| 10:20-12:00 | 4P046 | Excited state dynamics in thiophene / phenylene co-oligomers revealed by femtosecond pump-probe spectroscopy (Nara Institute of Science and Techology) *Wataru Yoshida, Hiroto Okochi, Hitoshi Mizuno, Hiroyuki Katsuki, Hisao Yanagi |
| 10:20-12:00 | 4P047 | Teoretical study on suboxides of rubidium (Institute for Materials Chemistry and Engineering, Kyushu University) *Mikiya Hori, Yuta Tsuji, Kazunari Yoshizawa |
| 10:20-12:00 | 4P048 | Molecular Motion and Proton Conductivity in Alginic Acid-Imidazole Composite (Department of Chemistry, Graduate School of Natural Science and Technology, Kanazawa University1,Nanomaterials Research Institute, Kanazawa University2) *Sho Kajimoto1, Takuma Chikai1, Shogo Amemori2, Tomonori Ida1, Motohiro Mizuno2 |
| 10:20-12:00 | 4P049 | Electronic structure analysis of ruthenium phthalocyanine with axial ligands (Department of Chemistry, College of Science, De La Salle University1,Graduate School of Science and Technology, Kumamoto University2) *Eiza Shimizu1,2, Derrick Yu1, Masaki Matuda2 |
| 10:20-12:00 | 4P050 | Dielectric Response of Mixed Crystals between Ferroelectric and Antiferroelectric Alkylamide-Substituted Benzene Derivatives (Graduate School of Engineering, Tohoku Univ.1,IMRAM2) *Jianyun Wu1, Takashi Takeda2, Norihisa Hoshino2, Tomoyuki Akutagawa2 |
| 10:20-12:00 | 4P051 | Theoretical study on Alkali metal atom intercalation into finite-size graphite (Graduate School of Kyoto institute of Technology.) *Kohei Takahashi, Takashi Yumura |
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| 10:20-12:00 | 4P052 | Analysis of hopping of PTCDA molecule on Ge (001) surface by first principles calculation (Department of Engineering, Fukuoka Univ.1,Interdisciplinary Graduate School of Engineering Sciences, Kyushu Univ2) *Tomoya Shiota1, Wataru Mizukami2, Hiroshi Tochihara1, Kazuma Yagyu1, Takayuki Suzuki1, Yuriko Aoki2 |
| 10:20-12:00 | 4P053 | Development of new hydrogen storage method with using metal-dihydrogen complex (Graduate School of Scienece, Tohoku University1,Graduate School of Env.Science, Hokkaido University2,AIMR, Tohoku university3,Nankai University4) *Kaiji Uchida1, Shinya Takaishi1, Naoki Kishimoto1, Shinichiro Noro2, Masahiro Yamashita1,3,4 |
| 10:20-12:00 | 4P054 | DFT calculation on formation of self-assembled monolayer based on ferrocenecarboxylic (Graduate School of Kyoto Institute of technology) *Ryoga Miyamura, Takashi Yumura |
| 10:20-12:00 | 4P055 | Sum-frequency generation spectroscopy and theoretical analysis at dimethyl sulfoxide solution / graphene electrode interface (Department of Chemistry, Tohoku University, Japan1,Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Japan2) *Yamato Sato1, Tomonori Hirano1, Lin Wang1,2, Shen Ye1,2, Akihiro Morita1,2 |
| 10:20-12:00 | 4P056 | Theoretical Study on the Adhesion Interaction at the Interface between Au and Epoxy Resin (Institute for Materials Chemistry and Engineering, Kyushu University1,ROHM Co. Ltd2) *Taiki Baba1, Hiroyiki Murata1, Yuta Tsuji1, Naoaki Tsurumi2, Noriyuki Masago2, Kazunari Yoshizawa1 |
[Clusters/particles/nanostructures]
| 10:20-12:00 | 4P057 | Near-field optical characteristics of Mie resonances excited in single silicon nanostructures (Graduate School of Advanced Science and Engineering, Waseda Univ.) *Takuya Matsuura, Kohei Imura |
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| 10:20-12:00 | 4P058 | Selective synthesis and catalytic activity of hetero biicosahedral Au24Pd cluster (Graduate School of Science, Tokyo Univ. of Science1,Technical University Wien2) *Daiki Suzuki1, Yukari Imai1, Sakiat Hossain1, Noelia Barrabes2, Tokuhisa Kawawaki1, Yuichi Negishi1 |
| 10:20-12:00 | 4P059 | Reduction-induced uptake of metal ion in a redox-active porous ionic crystal based on dodecamolybdosulfate (School of Arts and Sciences, The Univ. of Tokyo) *Tomoki Okunaga, Sayaka Uchida |
| 10:20-12:00 | 4P060 | Oxidation reaction mechanism of Li+-ion-encapsulated fullerene (Li+@C60) studied by electrospray ionization mass spectrometry (Graduate School of Science, Tohoku Univ.1,FRIS, Tohoku Univ.2,NICHe, Tohoku Univ.3) *Keijiro Ohshimo1, Kohei Hasegawa1, Hiroshi Ueno2,1, Fuminori Misaizu1,3 |
| 10:20-12:00 | 4P061 | Effect of the addition of nitric acid compounds to gold nanorod growth (Aichi Univ. of Education) *Yoshihiro Yamaguchi, Toshiaki Fukagawa, Kazuyuki Hino |
| 10:20-12:00 | 4P062 | Isolation and characterization of [Sc2Cn(n=76, 78, 80)]- (Department of Chemistry, Tokyo Metropolitan Univ.) *Shun Yoshida, Koichi Kikuchi, Yohji Achiba, Takeshi Kodama |
| 10:20-12:00 | 4P063 | Time-, temperature-, and OPIG-DC voltage- resolved collision-induced dissociation of (guanine)n Na+ (Graduate School of Nanobioscience, Yokohama City Univ.) *Wataru Kadota, Satoko Kanamori, Saki Kitamura, Takaaki Iyama, Yuto Yonebayashi, Shinji Nonose |
| 10:20-12:00 | 4P064 | Isolation and magnetic properties of Dy-metallofullerene anions (Department of Chemistry, Tokyo Metropolitan Univ.) *Ryoya Takai, Ryuji Higashinaka, Tatsuma d. Matsuda, Yuji Aoki, Koichi Kikuchi, Yohji Achiba, Takeshi Kodama |
| 10:20-12:00 | 4P065 | Determination of Equilibrium Constants in Binding-Dissociation Equilibrium of Ag29 Cluster Ligand by the use of Photoluminescence Analysis (College of Science, Rikkyo Univ.) *Naoya Takahashi, Mayu Negishi, Yoshiki Niihori, Masaaki Mitsui |
| 10:20-12:00 | 4P066 | Production and characterization of fluorescent gold-silver nanoclusters (Department of Chemistry, Toho University) *Reona Miyamoto, Fumiaki Uchiyama, Yuya Oishi, Ryo Sasaki, Shota Kuwahara, Toshiki Sugai |
| 10:20-12:00 | 4P067 | Analysis of cluster-growth condition in the magnetron-sputtering cluster source by optical emission spectroscopy (Graduate School of Science, Kyushu Univ.) *Satoshi Kono, Masashi Arakawa, Akira Terasaki |
| 10:20-12:00 | 4P068 | Time and OPIG-DC voltage- resolved proton transfer reactions of cytochrome c Ions (Graduate School of Nanobioscience, Yokohama City Univ.) *Yuto Yonebayashi, Satoko Kanamori, Saki Kitamura, Takaaki Iyama, Wataru Kadota, Shinji Nonose |
| 10:20-12:00 | 4P069 | Theoretical study of hydrogen storage in macrocyclic cages made by cubic cyclophanes (Graduate School of Science, Tokai Univ.) *Misaki Sato, Shigeru Ishikawa |
| 10:20-12:00 | 4P070 | Photo-assisted shape control of single gold nanorods (Graduate School of Advanced Science and Engineering) *Kenya Kawashima, Satoru Misawa, Keisuke Imaeda, Kohei Imura |
| 10:20-12:00 | 4P071 | SAXS profiles for the ordered structure of polymer-capped gold nanorods induced by an external electric field (Aichi Univ. of Education1,Gunma Univ.2) *Toshiaki Fukagawa1, Mana Kumagai1, Yoshihiro Yamaguchi1, Ryo Sawa1, Kazuyuki Hino1, Yoshikiyo Hatakeyama2 |
| 10:20-12:00 | 4P072 | Red-edge effect of fluorescent dye in saccharide glass as bio protective substance (Graduate School of Life Sciences, Ritsumeikan University) *Atsushi Toyo, Tetsuro Matsuoka, Akifumi Matsuoka, Yutaka Nagasawa |
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| 10:20-12:00 | 4P073 | Absolute photon-yield measurement of firefly bioluminescence by limiting amount of ATP (Graduate School of Science and Tchology, Gunma Univ.1,ISSP, Univ. of Tokyo2,OPERANDO-OIL3,GUCFW4) *Ryohei Ono1, Yuji Hazama2,3, Hidefumi Akiyama2,3, Hideyuki Itabashi1,4, Miyabi Hiyama1,4 |
| 10:20-12:00 | 4P074 | Live-cell nonlinear optical spectroscopic imaging of brown adipocytes (Faculty of Pure and Applied Science, Tsukuba Univ.1,Faculty of Medicine,Tsukuba Univ.2,Graduate School of Science, Tokyo Univ.3) *Yuki Takei1, Rie Hirai2, Rintaro Shimada3, Aya Fukuda2, Koji Hisatake2, Hideaki Kano1 |
| 10:20-12:00 | 4P075 | Construction of a recursive self-reproducing LLPS-droplet (Exploratory Research Center on Life and Living Systems (ExCELLS)1,The University of Tokyo2,Institute for Molecular Science3) *Muneyuki Matsuo1,2, Kensuke Kurihara1,3 |
| 10:20-12:00 | 4P076 | Observation of distance dependence on vibrational energy transfer in proteins using periodical character of alpha helices (Graduate School of Science, Osaka Univ.) *Satoshi Yamashita, Misao Mizuno, Yasuhisa Mizutani |
| 10:20-12:00 | 4P077 | Protein structure analysis using data assimilation of simulation and small angle X-ray scattering curve (Grad. Sch. of Science, Kyoto Univ.1,CREST, JST2) *Sotaro Fuchigami1,2 |
| 10:20-12:00 | 4P078 | Label-free analysis of trans-fatty acids introduced in a cell with Raman imaging (Faculty of Pharmaceutical Sciences, Tohoku Univ.1,Graduate School of Science, Tokyo Univ.2,Graduate School of Pharmaceutical Sciences, Tohoku Univ.3) *Hiroaki Takahashi1, Aya Yanamisawa2, Shinji Kajimoto3, Takakazu Nakabayashi3 |
| 10:20-12:00 | 4P079 | Study of small molecular binding to DNA mismatched site with molecular dynamics and quantum chemical approach (Institute of Scientific and Industrial Research, Osaka University1,Center for Computational Sciences, University of Tsukuba2,Institute for NanoScience Design, Osaka University3) *Koichi Miyagawa1, Mitsuo Shoji2, Kazuhiko Nakatani1, Yasuteru Shigeta2, Kizashi Yamaguchi1,3 |
| 10:20-12:00 | 4P080 | A reconsideration of theoretical formula of electronic state term for nuclear electric dipole moment (Undergraduate School of Science, Tokyo Metropolitan Univ) *Naohiro Tomiyama, Takeru Fujita, Minori Abe, Masahiko Hada |
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| 10:20-12:00 | 4P081 | A quantum chemical study on structure and reactivity of BN nanosheet with pn two layer doping (Graduate School of Engineering Science, Yokohama National Univ.) *Hiroki Hagiwara, Kota Sato |
| 10:20-12:00 | 4P082 | Reaction mechanism of catalytic nitrogen fixation by transition metal surfaces (Institute for Materials Chemistry and Engineering, Kyushu Univ.) *Masataka Yoshida, Yuta Tsuji, Kazunari Yoshizawa |
| 10:20-12:00 | 4P083 | Theoretical study on intermolecular magnetic interaction of double-decker phthalocyaninato yttrium(III) complex. (Graduate School of Engineering Science, Osaka Univ.1,Graduate School of Science, Tohoku Univ.2,Institute for Molecular Science3) *Kazuki Ikenaga1, Yasutaka Kitagawa1, Keiichi Katoh2, Masahiro Yamashita2, Masayoshi Nakano1,3 |
| 10:20-12:00 | 4P084 | Electronic excited states induced by optical near-field (Faculty of Science, Hokkaido Univ.1,WPI-ICReDD, Hokkaido Univ.2,Graduate School of Chemical Sciences and Engineering3) *Takeshi Iwasa1,2, Masato Takenaka3, Tetsuya Taketsugu1,2,3 |
| 10:20-12:00 | 4P085 | Theoretical study of the multi-molecular reaction mechanism in the isomerization of nitrile N-oxide to isocyanate (Tokyo Tech, Sch. Mater. Chem. Tech.) *Yuki Ishiyama, Yoshihiro Hayashi, Toshikazu Takata, Susumu Kawauchi |
| 10:20-12:00 | 4P086 | Reactivity of New Unique Rh(PXP) Complexes (X = B, Al, Ga): Theoretical Insight (FIFC, Kyoto Univ.1,Grad. School. of Eng., Kyoto Univ.2) *Qiaozhi Li1, Naofumi Hara2, Yoshiaki Nakao2, Shigeyoshi Sakaki1 |
| 10:20-12:00 | 4P087 | Theoretical Study of N-H Bond Activation by Ni(0) Complex: Reaction Mechanism and Electronic Processes (FIFC, Kyoto Univ.) *Qingxi Meng, Shigeyoshi Sakaki |
| 10:20-12:00 | 4P088 | Quantum chemical study for the Si/C alternately substituted chain polyenes (Graduate School of Science and Technology, Gunma Univ.) *Akira Imanishi, Takako Kudo |
| 10:20-12:00 | 4P089 | Theoretical study on 1,4-Ir migration and retro-Diels-Alder reaction in Cp*Ir-norbornene complexes (Ochanomizu Univ.1,Saimtama Medical Univ.2,Graduate School of Science and Engineering, Chuo Univ.3) Satomi Yamanaka1, Noriko Tsuchida2, Susumu Kumagai3, Shunya Honda3, Takuya Kuwabara3, Shintaro Kodama3, Youichi Ishii3, *Keiko Takano1 |
| 10:20-12:00 | 4P090 | How does Ni in Ni13@Pd42 and Ni13@Rh42 regulate electronic structure and catalytic activity of Pd55 and Rh55? The DFT insight (ESICB, Kyoto University1,Institute for Molecular Science (IMS)2,FIFC, Kyoto University3) *Bo Zhu1, Masahiro Ehara1,2, Shigeyoshi Sakaki1,3 |
| 10:20-12:00 | 4P091 | Matrix product method solving Imaginary time evolution for electronic structure calculation (Edogawa Univ.1,FOCUS2) *Toru Yagi1, Umpei Nagashima2 |
| 10:20-12:00 | 4P092 | Study of electronic structure in insulin-like growth factor 1 (Sch. of Eng., The Univ. of Tokyo1,Inst. of Ind. Sci., The Univ. of Tokyo2) *Hikaru Sasaki1, Toshiyuki Hirano2, Fumitoshi Sato1,2 |
| 10:20-12:00 | 4P093 | Digital Annealer for structure similarity of flavor molecules (FUJITSU LABORATORIES) *Chieko Terashima, Hideyuki Jippo, Mari Ohfuchi |
| 10:20-12:00 | 4P094 | Adsorption of hydrated sulfate ion on surface of lead dioxide (R&D Center, Kansai Electric Power Company) *Yoshiyuki Kubota, Satoshi Hashigami, Atsushi Tanaka, Hiroyuki Yoshida |
| 10:20-12:00 | 4P095 | Theoretical analysis of the stereoregularity in propylene polymerization reaction by ansa-zirconocene catalyst (Graduate School of Informatics, Nagoya University1,Core Research for Evolutional Science and Technology, Japan Science and Technology Agency2,Future Value Creation Research Center, Nagoya University3,Elements Strategy Initiative for Catalysts and Batteries, Kyoto University4) *Yuichi Tanaka1,2, Hirokazu Moriya1, Yuichi Suzuki1, Nana Misawa1, Nobuaki Koga1,2,3, Masataka Nagaoka1,2,3,4 |
| 10:20-12:00 | 4P096 | Theoretical research of allosteric T-R state transition of human hemoglobin using Motion Tree method. (Graduate School of Informatics, Nagoya Univ.1,JST-CREST, Japan2,ESICB, Kyoto Univ.3,The Center for Data Science Education and Research, Shiga Univ.4,Graduate School of System Informatics. Kobe Univ.5) *Kentaro Suzuki1, Yukichi Kitamura1, Yume Takahashi1, Ikuo Kurisaki5, Masayoshi Takayanagi4, Masataka Nagaoka1,2,3 |
| 10:20-12:00 | 4P097 | Theoretical study of dependency on ligands in single-molecular electron conductivity of paddlewheel-type binuclear metal complexes. (Graduate School of Engineering Science, Osaka Univ.1,Institute for Molecular Science2) *Hayato Tada1, Iori Era1, Takuya Fujii1, Kazuki Ikenaga1, Yasutaka Kitagawa1, Masayoshi Nakano1,2 |
| 10:20-12:00 | 4P098 | Geometry optimization of polymers via ONIOM based elongation method. (IGSES, Kyushu Univ.1,F. of Chem., Jagiellonian Univ.2) *Denis Mashkovtsev1, Wataru Mizukami1, Jacek Korchowiec1,2, Anna Stachowicz-kuśnierz2, Yuriko Aoki1 |
| 10:20-12:00 | 4P099 | Attempt to reduce the number of molecular independent variables by specifying discrete atoms (Faculty of Systems Engineering, Wakayama Univ.1,Graduate School of Systems Engineering, Wakayama Univ.2,Research Fellowships of Institute for Quantum Chemical Exploration for Young Scientist3) *Hideo Yamakado1,2, Yoshitomo Kodaya2,3, Yuuki Midoro2, Takuto Oki2 |
| 10:20-12:00 | 4P100 | CO Oxidation on MCr2O4(111) Surface (M = Mg, Co, Cu, and Zn): A Theoretical Insight into Roles of M (Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University1,Fukui Institute for Fundamental Chemistry, Kyoto University2) *Peng Zhao1, Masahiro Ehara1, Shigeyoshi Sakaki1,2 |
| 10:20-12:00 | 4P101 | Exploration and application of electronic properties on conical intersection structures (School of Adv. Sci. Eng., Waseda Univ.1,WISE, Waseda Univ.2,ESICB, Kyoto Univ.3) *Mayu Inamori1, Yasuhiro Ikabata2, Hiromi Nakai1,2,3 |
| 10:20-12:00 | 4P102 | Exploring reaction paths in electronically excited states of methylenecyclopropane (Osaka Prefecture University1,RIMED2) *Shiro Koseki1,2, Nozomi Sawada1, Mamoru Haruta1, Toshio Asada1,2 |
| 10:20-12:00 | 4P103 | Development of grand canonical molecular dynamics method applied to solution interfaces (Graduate School of Science, Tohoku Univ.1,ESICB, Kyoto Univ.2) *Nobuya Naito1, Akihiro Morita1,2 |
| 10:20-12:00 | 4P104 | Theoretical study for the reactivity of cyclic dienes containing group 13 elements (Graduate School of Science and Technology, Gunma Univ.) *Kenta Fujiwara, Takako Kudo |
| 10:20-12:00 | 4P105 | Accurate Free-Complement calculations of atoms by the implementation of Slater-type atomic integrals (Quantum Chemistry Research Institute) *Hiroyuki Nakashima, Yusaku Kurokawa, Hiroshi Nakatsuji |
| 10:20-12:00 | 4P106 | Theoretical study on chemical ionization mass spectrum by Artificial Force Induced Reaction Method (Graduate School of Chemical sciences and Engineerinig,Hokkaido University1,WPI-ICReDD2,Faculty of Science,Hokkaido University3,NIMS4) *Ryosuke Takeuchi1, Kimichi Suzuki2,3, Satoshi Maeda2,3,4 |
| 10:20-12:00 | 4P107 | Influence mechanostress to reaction route networks of chain molecules (Graduate School of Chemical Sciences and Engineering, Hokkaido University1,Graduate School of Science, Hokkaido University2,Institute for Chemical Reaction Design and Discovery,Hokkaido University3,National Institute for Materials Science4) *Kazuki Ueda1, Kenichiro Saita2, Satoshi Maeda2,3,4 |
| 10:20-12:00 | 4P108 | Quasi-variational approach of state-averaged MCSCF method to RISM- and 3D-RISM-SCF schemes (Graduate School of Science. Kyushu Univ.) *Daisuke Okamoto, Yoshihiro Watanabe, Norio Yoshida, Haruyuki Nakano |
| 10:20-12:00 | 4P109 | The relation between spin angular momentum and electric current in two-dimensional system of group 14 element (Department of Micro Engineering, Kyoto University, Japan) *Naoya Kuroda, Naoyuki Nosohara, Masato Senami |
| 10:20-12:00 | 4P110 | Theoretical analysis of the positron binding and pair annihilation mechanisms to acetaldehyde molecule at vibrational excited states (Graduate School of Nanobioscience, Yokohama City Univ.1,School of Data Science, Yokohama City Univ.2) *Kaito Dohi1, Masanori Tachikawa1,2, Yukiumi Kita1 |
| 10:20-12:00 | 4P111 | Vibrational and electronic properties of aryl isocyanides adsorbed on Pt(111) surface (Graduate School of Chemical Sciences and Engineering, Hokkaido University1,Department of Chemistry, Faculty of Science, Hokkaido University2,Institute for Catalysis, Hokkaido University3,Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University4) *Ben Wang1, Min Gao1,3, Tetsuya Taketsugu1,2,4 |
| 10:20-12:00 | 4P112 | Theoretical study on the breakdown of the IRC pathway by dynamics effect (Graduate School of Chemical Science and Engineering, Hokkaido Univ.1,Faculty of Arts and Science, Kyushu Univ.2,Graduate School of Science, Hokkaido Univ.3,WPI-ICReDD, Hokkaido Univ.4) *Kohei Oda1, Takuro Tsutsumi1, Kenji Furuya2, Tetsuya Taketsugu1,3,4 |
| 10:20-12:00 | 4P113 | Theoretical Study on Excited-State Properties of Diazadiboretidine Derivatives (WISE, Waseda Univ.1,CLS, Tokyo Tech2,Grad. Sch. of Adv. Sci. & Eng., Waseda Univ.3,ESICB, Kyoto Univ.4) *Yasuhiro Ikabata1, Yoshiaki Shoji2, Takanori Fukushima2, Hiromi Nakai1,3,4 |
| 10:20-12:00 | 4P114 | Theoretical study of the Lorentz force density and the tension density in electric conduction through planar structure materials (Graduate School of Engineering, Kyoto Univ.) *Shunji Matsunaga, Masato Senami |
| 10:20-12:00 | 4P115 | An integral equation theory for molecular liquid with vibrational effects (Graduate School of Engineering, Kyoto Univ.) *Suguru Takeno, Tomoaki Yagi, Hirofumi Sato |
| 10:20-12:00 | 4P116 | Theoretical Study on the Mechanism and Enantioselectivity of the Asymmetric Dehydrative Cyclization of Alcohol to Cyclic Ether (Institute for Catalysis, Hokkaido Univ.1,Graduate School of Pharmaceutical Sciences, Nagoya Univ.2) *Manussada Ratanasak1, Shinji Tanaka2, Masato Kitamura2, Jun-ya Hasegawa1 |
| 10:20-12:00 | 4P117 | Excitation Energies from Thermally-Assisted-Occupation Density Functional Theory: Theory and Computational Implementation (Institute of Chemistry, Academia Sinica, Taiwan1,Department of Chemistry, National Taiwan University, Taiwan2,Department of Physics, National Taiwan University, Taiwan3,Center for Theoretical Physics and Center for Quantum Science and Engineering, National Taiwan University, Taiwan4) *Shu-hao Yeh1,2, Aaditya Manjanath1, Jeng-da Chai3,4, Chao-ping Hsu1 |