Tuesday, September 9
For each presentation, the alphabet in the Presentation Number indicates the location, the first digit the day of the presentation (the 1st, 2nd, 3rd, or 4th day of the meeting), and the last two the order within each day for that room.
- Room A Morning
- Room B Morning
- Room C Morning
- Room D Morning
- Room E Morning
- Room A Afternoon
- Room B Afternoon
- Room C Afternoon
- Room D Afternoon
- Room E Afternoon
Tuesday Morning Sessions(September 9, starting at 9:00)
Room A [Gas phase]
09:18-09:36
| 1A02 | Detection and characterization of intermediates in Suzuki-Miyaura coupling by cold gas-phase spectroscopy (Graduate School of advanced Science and Engineering, Hiroshima Univ) *Yuki Nakamura, Shiori Machida, Satoru Muramatsu, Yoshiya Inokuchi |
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09:36-09:54
| 1A03 | IR spectroscopy of gas phase protonated water – acetonitrile cluster: comparison of the clusters in the condensed phase and gas phase (Graduate School of Science, Tohoku Univ.) *Kohei Chiba, Asuka Fjii |
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09:54-10:12
| 1A04 | Cryogenic ion trap infrared spectroscopy of deprotonated acidic amino acids (School of Science, Institute of Science Tokyo1,School of Science, Kitasato Univ.2,IAMS, Academia Sinica3) *Shotaro Yoshikawa1, Jun-hao Yu1, Keisuke Hirata1, Takumi Abe2, Jer-lai Kuo3, Shun-ichi Ishiuchi1 |
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10:12-10:30
| 1A05 | Developing and improving gas-phase infrared spectroscopy combined with differential pressure measurements (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,Graduate School of Science, Osaka Univ.2) *Shuntaro Azuma1, Satoru Muramatsu1, Dock-chil Che2, Yoshiya Inokuchi1 |
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10:48-11:24
| 1A07 | [Young Scientist Award Talk] Elucidating hydration effects on molecular recognition by cryogenic ion spectroscopy (School of Science, Science Tokyo) *Keisuke Hirata |
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11:24-11:42
| 1A09 | Proton transfer reactions of biomolecular ions (Yokohama City Univ.) *Shinji Nonose, Koki Sasano, Reo Kodaira, Tomoya Sugiyama |
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11:42-12:00
| 1A10 | Artificial translation modes for efficient anharmonic vibrational analysis of hydrogen-bonded systems (IAMS, Academia Sinica) *Qian-rui Huang, Jer-lai Kuo |
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Room B [Clusters/Surface]
09:36-09:54
| 1B03 | Fabrication and optical characterization of nanostructures of perylene oligomers generated by electron beam irradiation (Graduate School of Waseda Univ.1,Inst. for Molecular Science2) *Ken Morita1, Hiromi Okamoto2, Kohei Imura1 |
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09:54-10:12
| 1B04 | Room-Temperature Spin Quantum Coherence in Chromophore–Radical Systems Embedded in Polystyrene Matrix (Graduate School of Science, Kobe Univ.1,University of Bonn2) *Yuya Kokado1, Kevin Kopp2, Masaaki Fuki1, Olav Schiemann2, Yasuhiro Kobori1 |
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10:12-10:30
| 1B05 | Temperature dependence of infrared emission spectra of fullerene C60 thin films (Dept. Chem., Kindai Univ.1,Dept. Chem., Keio Univ.2,Center for Basic Education, Kanagawa Inst. Tech.3) *Tomonari Wakabayashi1, Keito Morimoto1, Yuya Ikeda1, Kanta Masuda1, Hal Suzuki1, Miho Hatanaka2, Takeshi Kodama3 |
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10:48-11:06
| 1B07 | IR ATR analysis of molecular disaggregation of PTFE with solid additives (ICR, Kyoto Univ.1,Science Tokyo.2,IMRAM, Tohoku Univ.3) *Tomoya Oonuki1, Taisuke Araki1, Hiroshi Matsuda1, Nobutaka Shioya1, Takeshi Hasegawa1, Akihide Hibara2, Junya Kano3 |
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11:06-11:24
| 1B08 | Study of anisotropy of band-progression in thin films of n-C20F42 (Institute for Chemical Research, Kyoto University) *Taisuke Araki, Nobutaka Shioya, Tomoya Oonuki, Shun Konno, Takeshi Hasegawa |
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11:24-11:42
| 1B09 | Molecular understanding of cohesive failure in adhesive joints (Faculty of Engineering Sciences) *Yuta Tsuji |
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11:42-12:00
| 1B10 | Molecular mechanism of magnesium oxide hydration through molecular simulation and first-principles calculation (Faculty of Science and Technology, Keio Univ.1,IMS2) *Taichi Inagaki1, Miho Hatanaka1,2 |
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Room C [Solid phase]
09:00-09:18
| 1C01 | Modulation of optical properties via ground- and excited-states intermolecular proton transfer in pyrene sulfonamide derivative (Graduate School of Engineering, Tohoku University1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University2,Faculty of Science, Shinshu University3,Molecular Design and Function Group, National Institute for Materials Science4,Department of Materials Science and Engineering, Faculty of Pure and Applied Sciences, University of Tsukuba5,Center for Data Science, Waseda University6) *Chisato Sato1, Takumasa Ogasawara1, Shun Dekura1,2, Tetsu Sato1,2, Takashi Takeda3, Atsuro Takai4, Hayato Anetai4, Masayuki Takeuchi4,5, Takuya Taniguchi6, Tomoyuki Akutagawa1,2 |
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09:18-09:36
| 1C02 | Proton conduction-driven ferroelectricity in metal-organic cage: a synergistic effect (Graduate School of Science, Kyoto University) *Neetu Prajesh, Yukihiro Yoshida, Mitsuhiko Maesato, Hiroshi Kitagawa |
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09:36-09:54
| 1C03 | Control of structural transformation in molecular crystals using crown ether and metal ion exchange (Grad. Sch. Adv. Sci. Eng., Hiroshima Univ.1,Sch. Sci., Hiroshima Univ.2,IMRAM, Tohoku Univ.3,CResCent, Hiroshima Univ.4,PREST, JST5) *Jun Manabe1,2, Yuta Echigawa2, Tomoyuki Akutagawa3, Takayoshi Nakamura1, Sadafumi Nishihara1,2,4,5 |
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09:54-10:30
| 1C04 | [Young Scientist Award Talk] Developments of anhydrous superprotonic conductors based on molecular internal degrees of freedom (IMRAM, Tohoku Univ.) *Shun Dekura |
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10:48-11:06
| 1C07 | Mechanistic Study and Performance Optimization of Solid-State Hydrogen Isotope Separation by Metal–Dihydrogen Complexes (Graduate School of Science, Tohoku University) *Shinya Takaishi |
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11:06-11:24
| 1C08 | Structure and Properties of Exfoliable 2D Quinhydrone-Type Complexes Formed from Propeller-Shaped Molecules (MCT, Science Tokyo1,CLS, Science Tokyo2,ASMat, Science Tokyo3,JEOL Ltd.4,CBRM, NIMS5) *Shuta Tsuruga1,2, Ryosuke Takehara1,2,3, Yoshiaki Shoji1,2,3, Koji Yazawa4, Koji Harano5, Takanori Fukushima1,2,3 |
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11:24-11:42
| 1C09 | Synthesis of proton-electron mixed conducting molecular solid (Grad. Sch. of Science, Kyoto Univ.) *Yukihiro Yoshida, Peng-hao Wang, Soichiro Yasaka, Mitsuhiko Maesato, Yoshiaki Nakano, Hiroshi Kitagawa |
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11:42-12:00
| 1C10 | Crystal structures and gas/vapor adsorption properties of cyanoborate-bridged cubane-type tetranuclear Ru complexes (Graduate school of Science, Kobe Univ.1,Research Center for Membrane and Film Technology2) *Ryota Inoue1, Tomoyuki Mochida1,2 |
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Room D [Liquid phase]
09:18-09:36
| 1D02 | Structural inhomogeneity of reacting excited-state cis-stilbene revealed by transient two-dimensional electronic spectroscopy (Mol. Spectrosc. Lab., RIKEN1,RAP, RIKEN2) *Korenobu Matsuzaki1,2, Garima Bhutani1, Jan-hendrik Borter1,2, Tahei Tahara1,2 |
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09:36-09:54
| 1D03 | Transient two-dimensional electronic spectroscopy: A novel approach to track the structural heterogeneity of poly(3-hexylthiophene) in the excited state (Molecular Spectroscopy Laboratory, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan1,Ultrafast Spectroscopy Research Team, RIKEN Centre for Advanced Photonics (RAP), 2-1 Hirosawa, Wako, Saitama 351-0198, Japan2) *Garima Bhutani1, Korenobu Matsuzaki1,2, Tahei Tahara1,2 |
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09:54-10:12
| 1D04 | Development of an Excitation–Emission Correlation Spectroscopy System Using Interferometry (Kyushu Univ.) *Kiyoshi Miyata, Tatsuya Yoshida, Jo Takagi, Shintaro Yamamoto, Ami Takada, Takumi Ehara, Tomohiro Ogawa, Ken Onda |
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10:12-10:30
| 1D05 | Effect of OH Substitution on the σ-Orbitals in Cyclohexane and Tetrahydropyran (School of Science and Engineering, Kindai Univ.) Yugo Higaki, Kyoko Yamato, *Yusuke Morisawa |
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10:48-11:06
| 1D07 | Spectroscopic Evaluation of Water Hydration Structures under Vibrational Strong Coupling State (Faculty of Science, Hokkaido University1,Graduate School of Chemical Sciences and Engineering, Hokkaido University2,JST-PRESTO3) *Masaki Itatani1, Nobuki Iwasa2, Naotoshi Miyasaka2, Lauren Takahashi1,3, Keisuke Takahashi1, Tomohiro Fukushima1,3, Kei Murakoshi1 |
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11:06-11:24
| 1D08 | Understanding of hydration structures of non-freezing, intermediate, and freezing water in proteins using Raman microscopy (Graduate School of Pharmaceutical Sciences, Tohoku Univ.1,IMCE, Kyusyu Univ.2,FIRST, Konan Univ.3) *Kohei Yokosawa1, Masaru Tanaka2, Daisuke Miyoshi3, Shinji Kajimoto1, Takakazu Nakabayashi1 |
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11:24-11:42
| 1D09 | High-sensitivity Raman spectroscopy by droplet concentration: Application to detection of biomolecules at the μM level and visualization of reactions (Graduate School of Pharmaceutical Sciences, Tohoku University1,JST PRESTO2) *Lisa Kageyama1, Reona Tobita1, Shinya Tahara1, Shinji Kajimoto1,2, Takakazu Nakabayashi1 |
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11:42-12:00
| 1D10 | Room-temperature thermochemical water splitting: efficient Ti mechanocatalytic hydrogen production (N-BARD, Hiroshima Univ.1,Graduate school of Sci.＆Tech, Hiroshima Univ.2) Yamamoto Takuya2, Sho Asida2, *Ken-ichi Saitow1 |
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Room E [Theory]
09:18-09:36
| 1E02 | Statistical mechanical description of small molecular geometries for electronic structure calculations (Graduate School of Engineering, Kyoto Univ.1,FIFC, Kyoto Univ.2) *Sara Suzuki1, Hirofumi Sato1,2 |
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09:36-09:54
| 1E03 | Development of kinetic-energy density functional to describe covalent bond (Graduate School of Science, Tohoku Univ.) *Hideaki Takahashi |
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09:54-10:12
| 1E04 | Multi-center molecular integrals over Dirac wave functions for solving the molecular matrix Dirac equation (no affiliation) *Kazuhiro Ishida |
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10:30-10:48
| 1E05 | Exact-density-based functional description of energy quantities in DFT (School of Science, The University of Tokyo1,Institute for Molecular Science2) *Tsuyoshi Kato1, Shinji Saito2 |
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10:48-11:06
| 1E07 | Study on problems of machine learning with molecular orbital energies as explanatory variables (Faculty of Science, Josai University) *Hiroyuki Teramae |
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11:06-11:24
| 1E08 | Development of isotropic site-site potential based on ab-initio approaches (Graduate school of Arts and Sciences, TU) *Daisuke Yokogawa |
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11:24-11:42
| 1E09 | Electronically Informed QM/MM Partitioning: A Universal Fragmentation-Based Approach (Advanced Sciences, Ochanomizu Univ.1,Core research institute, Ochanomizu Univ.2,Faculty of Science and Engineering, Chuo Univ.3) *Nichika Ozawa1, Nahoko Kuroki2, Hirotoshi Mori3 |
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Tuesday Afternoon Sessions(September 9, starting at 15:15)
Room A [Gas phase]
15:15-15:33
| 1A11 | Chiral vibrationally averaged structure of the planar molecule acetaldehyde by ab initio MD (Faculty of Science, Ochanomizu Univ.1,Graduate School, Yokohama City Univ.2,Photoscience Research Center, Kobe Univ.3) *Tsuneo Hirano1, Umpei Nagashima2, Masaaki Baba3 |
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15:33-15:51
| 1A12 | LIF spectroscopy of jet cooled SiNSi - rotational analysis of the electronically forbidden D 2Σg+ - X 2Πg transition - (Graduate School of Information Sciences, Hiroshima City Univ.1,Department of Basic Science, The University of Tokyo2) Chihaya Motoyoshi2, Yoshihiro Sumiyoshi2, Yasuki Endo2, *Masaru Fukushima1, Takashi Ishiwata1 |
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15:51-16:09
| 1A13 | Laser spectroscopic study of the A2Π-X2Σ+ (8-0) and (9-0) bands of CaH (Graduate School of Science and Engineering, Toyama Univ) *Jiahui Xiong, Kaori Kobayashi, Yoshiki Moriwaki |
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16:09-16:27
| 1A14 | Effect of librational motion on the decrease in the height of the methyl group internal rotation potential barrier in formamide-methanol complexes (Graduate School of Natural Science and Technology, Kanazawa Univ.1,College of Science and Engineering, Kanazawa Univ.2) *Koki Watanabe1, Sena Ikeda2, Masamichi Hirano1, Koya Tsubouchi1, Masaharu Fujitake1 |
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Room B [Clusters]
15:15-15:33
| 1B11 | Systematic Synthesis of New Magic-Numbered Au Clusters Protected by Water-Soluble Thiolate (Graduate School of Science, The University of Tokyo1,Graduate School of Science, Osaka Metropolitan University2) *Shinya Masuda1, Wataru Ishii2, Shinjiro Takano1, Takuya Nakashima2, Tatsuya Tsukuda1 |
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15:33-15:51
| 1B12 | Hydrogen-doping-mediated etching of phosphine-protected gold cluster studied by mass spectrometric analysis of [HAu9(PPh3)8]2+ (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,Graduate School of Arts and Sciences, Tokyo Univ.2,Graduate School of Science, Tokyo Univ.3) *Keisuke Yukawa1, Satoru Muramatsu1, Haru Hirai2, Tatsuya Tsukuda3, Yoshiya Inokuchi1 |
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15:51-16:09
| 1B13 | Unraveling a growth sequence of thiolate-protected gold clusters via controlled-growth synthesis (Grad. School of Science, The University of Tokyo) *Shinjiro Takano, Yuya Hamasaki, Tatsuya Tsukuda |
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16:09-16:27
| 1B14 | Dramatic Enhancement of Near-Infrared-to-Visible Photon Upconversion Enabled by Au Quantum Needle Sensitizers (College of Science, Rikkyo Univ.1,Grad. Sch. of Science, Univ. of Tokyo2) *Masaaki Mitsui1, Shinjiro Takano2, Tatsuya Tsukuda2 |
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16:27-17:03
| 1B15 | [Invited Talk] Molecular science at heterogeneous interfaces via nanocluster deposition (Faculty of Science and Technology, Keio Univ.) *Atsushi Nakajima |
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Room C [Solid phase]
15:15-15:33
| 1C11 | Halogen Substituent Effects on Guest Dynamics in Host-Guest Crystals Formed by Br and I-Substituted Tetra[2,3]thienylenes (Graduate School of Engineering, Tohoku University1,Faculty of Science, Shinshu University2,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University3) *Genki Saito1, Takashi Takeda2, Tetsu Sato1,3, Shun Dekura1,3, Tomoyuki Akutagawa1,3 |
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15:33-15:51
| 1C12 | Characterization of guest ions encapsulated in the cyclic organic-inorganic hybrid anion [P2W12O48(C16P2H16O5)]10－ (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,Department of Chemical and Biological Engineering, NIT., Ube College2,CResCent, Hiroshima.Univ.3,PRESTO, JST4) *Hiroto Kaitori1, Chisato Kato1, Masato Haneda1, Jun Manabe1, Masaru Fujibayashi2, Takayoshi Nakamura1, Sadafumi Nishihara1,3,4 |
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15:51-16:09
| 1C13 | Synthesis and physical properties of a layered type Bi coordination polymer based on the lone pair–π interaction (Graduate School of Science, Tokyo University of Science, Japan) *Haruto Yamaoka, Kazuya Otsubo |
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16:09-16:27
| 1C14 | Synthesis, assembly structures, and physical properties of metal complex crystals with bistriazole-p-benzoquinone ligand (Graduate School of Engineering, Tohoku University1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University2) *Shiori Harada1, Shun Dekura1,2, Tetsu Sato1,2, Tomoyuki Akutagawa1,2 |
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16:27-16:45
| 1C15 | Synthesis and guest exchange properties of new metal–organic frameworks with Pb–O rods (Graduate School of Science, Tokyo University of Science, Japan) *Keisuke Ishikawa, Kazuya Otsubo |
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16:45-17:03
| 1C16 | Synthesis and physical property of a novel porous metal–organic framework composed of an anthraquinone derivative and trivalent metal cation (Graduate School of Science, Tokyo University of Science) *Shota Takahashi, Masaaki Sadakiyo |
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Room D [Liquid phase]
15:15-15:33
| 1D11 | Development and application of two-dimensional fluorescence excitation correlation spectroscopy (IMS1,SOKENDAI2,Graduate School of Engineering Science, The Univ. of Osaka3) *Yusuke Yoneda1,2, Hikaru Kuramochi1,3 |
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15:33-15:51
| 1D12 | Development of 3-fs ultraviolet light sources for solution-phase ultrafast spectroscopy (Research Center of Integrative Molecular Systems, Institute for Molecular Science1,Graduate Institute for Advanced Studies, SOKENDAI2,Graduate School of Engineering Science, The University of Osaka3) *Masafumi Koga1, Keisuke Ochiai1,2, Yusuke Yoneda1,2, Hikaru Kuramochi1,3 |
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15:51-16:09
| 1D13 | Unraveling the origin of vibrational coherences surviving after the electronic transition (IMS1,SOKENDAI2,Graduate School of Engineering Science, The University of Osaka3) *Keisuke Ochiai1,2, Masafumi Koga1, Yusuke Yoneda1,2, Hikaru Kuramochi1,3 |
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16:09-16:27
| 1D14 | Photophysical Properties of α-Substituted Benzoylmethanatoboron Difluoride Complex (Graduate School of Science and Technology, Shinshu Univ.1,Institute of Education, Shinshu Univ.2,Graduate School of Engineering Science, Osaka Univ.3) *Yushi Fujimoto1, Misaki Saito2, Hikaru Sotome3, Hiroshi Miyasaka3, Fuyuki Ito1,2 |
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16:27-16:45
| 1D15 | Chirality induction through host-guest interactions within helical aromatic capsules (Lab. for Chem. & Life Sci., Science Tokyo) *Hayate Sasafuchi, Tomohisa Sawada, Michito Yoshizawa |
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Room E [Theory]
15:15-15:33
| 1E11 | Theoretical calculation of rate constants for nonadiabatic transitions including anharmonicity based on Fermi’s golden rule (Graduate School of Science, Kyoto University1,CREST2,FOREST3) *Takuma Ito1,2, Yuki Kurashige1,2,3 |
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15:33-15:51
| 1E12 | Modelling sub- and supercritical water with nuclear quantum effects (JAEA, CCSE) *Bo Thomsen, Motoyuki Shiga |
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15:51-16:09
| 1E13 | Calculation of electronic circular dichroism spectra of molecules in solution using integral equation theory (Graduate School of Engineering, Kyoto University1,Fukui Institute for Fundamental Chemistry, Kyoto University2) *Yuji Takabayashi1, Hirofumi Sato1,2 |
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16:09-16:27
| 1E14 | Electronic excitation in near-infrared-induced growth reactions of polyhydroxy fullerenes: Atom-resolved energy analysis (Graduate School of Science, Tohoku Univ.) *Manabu Kanno, Mahiro Honkai, Fuminori Misaizu, Hirohiko Kono |
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16:27-16:45
| 1E15 | Relative importance of electrostatic and intermolecular charge transfer interactions in halogen bonding (Faculty of Engineering, Shizuoka Univ.) Kyosuke Ino, *Hajime Torii |
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16:45-17:03
| 1E16 | Theory of non-radiative transitions based on crude adiabatic representation (FIFC, Kyoto Univ.1,Graduate School of Engineering, Kyoto Univ.2) *Tohru Sato1,2, Wataru Ota1,2 |
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