The 13th Annual Meeting of Japan Society for Molecular Science

Oral Sessions

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Wednesday, September 18 (Starting at 9:08)

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 venue.

Wednesday Morning Sessions(September 18, starting at 9:08)

Venue A [Gas phase]

9:08-9:26 2A01Si-H···H-O type dihydrogen bond in the phenol-alkylsilane clusters: Effects by the electronic excitation and the ionization
(Graduate School of Science, Kitasato University1,School of Science, Kitasato University2,Faculty of Science, Shizuoka University3) *Masaaki Uchida1, Takutoshi Shimizu1, Yuta Kato2, Yasutoshi Kasahara2, Yoshiteru Matsumoto3, Haruki Ishikawa2
9:26-9:44 2A02Temperature effect on the microscopic hydrogen-bond structures of phenol cation
(Graduate School of Science, Kitasato University1,School of Science, Kitasato University2) *Masataka Orito1, Keita Suzuki2, Hikaru Sato1, Yasutoshi Kasahara2, Haruki Ishikawa2
9:44-10:02 2A03Structural analysis of 6-thioguanosine and its monohydrate in the gas phase
(Graduate School of Bio- and Nano-system Sciences, Yokohama City Univ.) *Hiroyuki Saigusa, Saki Kitamura, Ayumi Oyama
10:02-10:20 2A04UV spectroscopy of cryogenically cooled Ag+–benzo-crown ether complexes in the gas phase
(Graduate School of Science, Hiroshima university1,National Chiao Tung University2) *Yuma Kitamura1, Satoru Muramatsu1, Takayuki Ebata1,2, Yoshiya Inokuchi1
10:30-10:48 2A05High-resolution laser spectroscopy of the S1←S0 transition of fluorene and carbazole
(Molecular Photoscience Research Center, Kobe Univ.) *Shunji Kasahara, Shinji Kuroda, Shoya Ueda
10:48-11:06 2A06High-resolution laser spectroscopy of the A2B2-X2A1 transition of 14NO2 radical
(Graduate School of Engineering, Kyoto Univ.1,Graduate School of Science, Kobe Univ.2,Faculty of Science, Kobe Univ.3,Molecular Photoscience Research Center, Kobe Univ.4) *Kohei Tada1, Michihiro Hirata2, Takumi Yoshizawa3, Akira Shimizu3, Kosuke Nakajima3, Shunji Kasahara2,3,4
11:06-11:24 2A07First Identification of a 2∆ State of CaH in the Visible Region.
(Department of Physics, University of Toyama1,Department of Physics, University of Toyama2,Department of Physics, University of New Brunswick, Canada.3) *Jin Furuta1, Kyohei Watanabe1, Iori Tani1, Kaori Kobayashi2, Yoshiki Moriwaki2, Ross Stephen3
11:24-11:42 2A08The excited 1Πu electronic state of SiOSi
(Graduate School of Information Sciences, Hiroshima City Univ.) *Masaru Fukushima, Takashi Ishiwata
11:42-12:00 2A09Visible-light induced reaction of ozone-amine complex
(BASE, Tokyo Uni. of Agri. & Tech.) Kentaro Kamata, *Nobuyuki Akai

Venue B [Surface/Interface]

9:08-9:26 2B01Molecular scale dynamics of interfacial ionic liquid during the operation of electric double layer organic FET
(Graduate School of Engineering Science, Osaka Univ.1,Graduate School of Frontier Sciences, Univ. Tokyo2) *Daijiro Okaue1, Sakurako Ono1, Kota Sakamoto1, Hiroaki Nato1, Taiki Sato1, Ichiro Tanabe1, Akihito Imanishi1, Jun Takeya2, Ken-ichi Fukui1
9:26-9:44 2B02Depletion Layer Formation Induced by Unusual Diffusion Behavior of Metal Ions at Ionic Liquid/Electrode Interface and Its Effect on Electrodeposits
(Graduate School of Engineering Science, Osaka Univ.) Shodai Koyama, Ken-ichi Fukui, *Akihito Imanishi
9:44-10:02 2B03IV-SFG studies on the impact of zwitterion additive for the extension of electrochemistry window
(School of Materials and Chemical Technology, Tokyo Tech.1,Department of Chemistry, Shanghai Univ.2,Department of Physics, Sogang Univ.3,Faculty of Science and Technology, Sophia Univ.4) Chengzi Qi1, Takashi Iwahashi1, Wei Zhou2, Doseok Kim3, Masahiro Fujita4, *Yukio Ouchi1
10:02-10:20 2B04IV-SFG studies on ion adsorption/desorption hysteresis at the ionic liquid/Pt electrode interfaces
(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
10:30-10:48 2B05HD-VSFG spectroscopy of water molecules at air/catanionic surfactant solution interfaces
(Pure and Applied Sciences, Univ. of Tsukuba1,Graduate School of Arts and Sciences, the Univ. of Tokyo2,Graduate School of Science and Engineering, Univ. of Toyama3,Graduate School of Science, Tohoku Univ.4) *Shinichi Sasaki1, Masanari Okuno2, Tatsuya Ishiyama3, Akihiro Morita4, Taka-aki Ishibashi1
10:48-11:06 2B06Estimation of the complex phase of the nonresonant background in sum frequency generation spectroscopy
(Molecular Spectroscopy Laboratory, RIKEN1,Department of Applied Chemistry, Saitama Univ.2,RIKEN Center for Advanced Photonics, RIKEN3) *Korenobu Matsuzaki1, Shoichi Yamaguchi2, Tahei Tahara1,3
11:06-11:24 2B07Vibrational spectra of silica/air interfaces measured by heterodyne-detected vibrational sum-frequency generation spectroscopy: Hydration structure of adsorbed water and its humidity-dependence
(Dept. of Chem., Tokyo Univ. of Science1,W-FST Center, Tokyo Univ. of Science2) *Taku Uchida1, Shu-hei Urashima2, Hiroharu Yui1,2
11:24-11:42 2B08Oxidation dynamics of unsaturated lipid monolayer under low-level ozone studied by heterodyne-detected vibrational sum frequency generation spectroscopy
(Graduate School of Science, Tohoku Univ.) *Ken-ichi Inoue, Shen Ye
11:42-12:00 2B09Evidence of Strong Anharmonic Coupling in Terminal Methyl Group of Self-assembled Monolayer: A Study of Time-domain 2D Heterodyne-detected Vibrational Sum-frequency Generation Spectroscopy
(MSL, RIKEN1,RAP, RIKEN2) *Woongmo Sung1, Ken-ichi Inoue1, Satoshi Nihonyanagi1,2, Tahei Tahara1,2

Venue C [Biomolecules]

9:08-9:26 2C01Predominant factor in thermodynamic stability of protein
(Res. Inst. Interdisciplinary Sci., Okayama Univ.) *Tomonari Sumi, Kenichiro Koga
9:26-9:44 2C02Application of time-resolved diffusion measurement combined with stopped-flow device to detect conformational dynamics of proteins
(Dep. Chem., Grad. Sch. Sci., Kyoto Univ.) *Shunki Takaramoto, Yusuke Nakasone, Masahide Terazima
9:44-10:02 2C03Theoretical study on the non-uniform energy flow and protein functions
(Graduate School of Science, Nagoya Univ.1,École supérieure de biotechnologie de Strasbourg2) *Takahisa Yamato1, Olivier Laprevote2,1, Genki Kubota1
10:02-10:20 2C04Validation of the performance of independent fluorescence component analysis, a new method of single-molecule FRET data processing based on multi-dimensional fluorescence correlation analysis
(Mol. Spectrosc. Lab., RIKEN1,RAP, RIKEN2) *Kunihiko Ishii1,2, Miyuki Sakaguchi1, Tahei Tahara1,2
10:30-10:48 2C05Molecular dynamics simulation study on lateral clustering of lipid molecules in lipid bilayers with anisotropic lipid composition
(Graduate School of Engineering, Nagoya Univ.1,Dept. of Materials Chemistry, Nagoya Univ.2) *Yoshimichi Andoh1, Shiho Hayakawa2, Susumu Okazaki2,1
10:48-11:06 2C06Effect of cationic lipids on the leaflet-specific lipid diffusion on a glass-supported lipid bilayer
(Saitama Univ.) *Takuhiro Otosu, Shoichi Yamaguchi
11:06-11:24 2C07Molecular dynamics study of a resting membrane potential
(Inst. Sci. Eng., Kanazawa Univ.) *Kazutomo Kawaguchi, Hidemi Nagao
11:24-11:42 2C08Basic properties of channelrhodopsin required for optogenetics
(Grad. sch. Eng., NIT1,JST PRESTO2) *Shunta Shigemura1, Shoko Hososhima1, Hideki Kandori1, Satoshi Tsunoda1,2
11:42-12:00 2C09Ion transport mechanism of Na+/H+ antiporter from transition path sampling
(Institute for Molecular Science) *Kei-ichi Okazaki

Venue D [Clusters/particles/nanostructures | Solid phase]

9:26-9:44 2D02Reduction-induced Cs+ uptake by a polyoxometalate capsule
(School of Arts and Sciences, The Univ. of Tokyo.) *Nanako Tamai, Sayaka Uchida
9:44-10:02 2D03In situ time-resolved XAFS studies on photo-induced particle formation in an aqueous/ethanol solution of PdCl42- using nanosecond pulsed UV laser -dependence of chemical kinetics on laser pulse energy-
(QST1,JAEA2) *Morihisa Saeki1, Takumi Yomogida2, Daiju Matsumura2, Ryuzo Nakanishi1, Tomitusgu Taguchi1, Takuya Tsuji2, Hiroyuki Saitoh1, Hironori Ohba1
10:02-10:20 2D04Development of High-performance Ion-trap Ion Mobility Measurement System and Measurement on Nanomaterials
(Department of Chemistry, Toho University) *Toshiki Sugai, Fumiaki Uchiyama, Reona Miyamoto, Yuya Oishi, Ryo Sasaki
10:30-10:48 2D05Electronic Pyroelectricity of Molecular Crystals Exhibiting Directional Charge Transfer
(Institute for Materials Chemistry and Engineering, Kyushu Univ.1,Graduate School of Science, Kyushu Univ.2) *Shinji Kanegawa1, Pritam Sadhukhan2, Hibiki Sejima2, Osamu Sato1
10:48-11:06 2D06Dielectric properties of preyssler-type polyoxometalate derivatives
(Graduate School of Science, Hiroshima Univ.1,Chirality Research Center, Hiroshima University2,Institute for Advanced Materials Research of Engineering, Hiroshima University3,Institute of Engineering, Division of Applied Chemistry, Tokyo University of Agriculture and Technology4,Graduate School of Sciences and Technology for Innovation, Yamaguchi University5) *Masaru Fujibayashi1, Chisato Kato1, Tomoha Hayase1, Katsuya Inoue1,2,3, Yoko Tatewaki4, Ryo Tsunashima5, Sadafumi Nishihara1,2,3
11:06-11:24 2D07Development of plastic/ferroelectric ionic crystals
(Faculty of Science, Hokkaido Univ.1,Grad. School of Chemical Sciences and Engineering, Hokkaido Univ.2) *Jun Harada1,2, Yuto Kawamura2, Yukihiro Takahashi1,2
11:24-12:00 2D08[Invited Talk] Study of frontier orbitals of molecules by synchrotron radiation X-ray diffraction
(Dept. of Applied Physics, Nagoya University) *Hiroshi Sawa

Venue E [Theory/Calculation]

9:08-9:26 2E01New quantum chemistry based on the exactly solving theory of the Schrödinger equation
(Quantum Chemistry Research Institute) *Hiroshi Nakatsuji, Hiroyuki Nakashima, Yusaku Kurokawa
9:26-9:44 2E02Calculation of atoms and molecules by the FC-CFT method with the Gaussian basis
(QCRI) *Yusaku Kurokawa, Hiroyuki Nakashima, Hiroshi Nakatsuji
9:44-10:02 2E03Numerical methods of calculation for the eigenvalue problems of the second-order ordinary differential equations with inhomogeneous terms for the central-force-field problems in quantum mechanics
(no affiliation) *Hideaki Ishikawa
10:02-10:20 2E04Multi-center molecular integrals over the Slater-type orbitals
(no affiliation) *Kazuhiro Ishida
10:30-10:48 2E05Theoretical study on the reliability of the perturbative approach to singlet fission rates in pentacene dimer models: Comparison with the quantum master equation approach
(Graduate School of Engineering Science, Osaka Univ.1,Institute for Molecular Science2) *Kenji Okada1, Takayoshi Tonami1, Takanori Nagami1, Wataru Yoshida1, Hajime Miyamoto1, Masayoshi Nakano1,2
10:48-11:06 2E06Constructing prediction model of narrow bandgap polymers considering aromatic-quinoid and donor-acceptor characters
(Sch. Mater. Chem. Tech., Tokyo Tech) *Yoshihiro Hayashi, Susumu Kawauchi
11:06-11:24 2E07Theoretical study on control of helicity inversion for diaza[7]helicene by using N-substitutions
(Faculty of Engineering, Fukuoka Institute of Technology1,Faculty of Advanced Science and Technology, Kumamoto University2) *Nobutsugu Hamamoto1, Sachie Arae2, Takashi Kamachi1, Ryo Irie2, Hitoshi Fujimoto2
11:24-11:42 2E08Theoretical Study on the Electronic Structure of Lithium Tetrelides
(IMCE, Kyushu Univ.) *Yuta Tsuji, Wataru Hashimoto, Kazunari Yoshizawa
11:42-12:00 2E09Theoretical study on generation of correlated triplet pair state and its nonlinear optical properties in pentacene dimers
(Graduate School of Engineering Science, Osaka Univ.1,Institute for Molecular Science2,Osaka City Institute of Public Health3) *Takayoshi Tonami1, Takanori Nagami1, Kenji Okada1, Wataru Yoshida1, Hajime Miyamoto1, Hiroshi Matsui3, Masayoshi Nakano1,2

Wednesday Afternoon Sessions(September 18, starting at 14:40)

Venue A   [Gas phase | Surface/Interface]

14:40-14:58 2A10Channel-resolved photoelectron momentum imaging of OCS in phase-locked two-color intense laser fields
(QST-KPSI) *Tomoyuki Endo, Tomohito Otobe, Ryuji Itakura
14:58-15:16 2A11Fourier synthesis of femtosecond laser fields using quantum control of molecular tunneling ionization 2
(AIST) *Hideki Ohmura, Naoaki Saito
15:16-15:34 2A12Observation of the excited state dynamics of 1,3-cyclohexadiene via time-resolved high-harmonic spectroscopy
(Graduate School of Engineering, Hokkaido Univ.) Keisuke Kaneshima, Yuki Ninota, *Taro Sekikawa
15:34-16:10 2A13[Young Scientist Award Talk] High-precision rotational wave packet imaging study of dynamics and structures of gas-phase molecular systems
(School of Science, Tokyo Tech.) *Kenta Mizuse
16:20-16:38 2A15Determination of charge injection barrier by Accumulated Charge Measurement using a chip with a Restricted-Bottom-Electrode Structure
(Graduate School of Material Science, University of Hyogo1,Graduate School of Engineering, University of Hyogo2) *Toshiaki Tanimura1, Akinari Ogino1, Yuta Miyamoto1, Tomofumi Kadoya1, Takeshi Komino1, Tokuji Yokomatsu2, Kazusuke Maenaka2, Hiroyuki Tajima1
16:38-16:56 2A16Modulation of proton transport properties of chemically-modified graphene
(Department of Chemistry, Faculty of Science, Hokkaido University1,Department of Chemistry, Faculty of Science, Hokkaido University2,Department of Chemistry, Faculty of Science, Hokkaido University3) *Tomohiro Fukushima1, Takaha Komai2, Hidetaka Hasebe3, Kei Murakoshi1
16:56-17:14 2A17Effect of External Electric Field on Methane Conversion on IrO2(110) Surface: A Density Functional Theory Study
(Department of Chemical Engineering, National Taiwan University of Science and Technology) *Chen-hao Yeh, Thong minh le Pham, Santhanamoorthi Nachimuthu, Jyh-chiang Jiang
17:14-17:32 2A18Infrared spectroscopy study for the surface complex between TiO2 and dicyanomethylene compounds
(RCAST, Univ. Tokyo1,Graduate School of Arts and Sciences, The University of Tokyo2) *Ryota Jono1, Hiroshi Segawa2,1
17:32-17:50 2A19Activation of Dye Sensitized Hydrogen Evolution Reaction on Well-defined Surfaces
(Graduate School of Engineering, Chiba University1,Graduate School of Engineering, Kyoto University2) Kou Osada1, Hitomi Iiyama2, Tomohiro Higashino2, Hiroshi Imahori1, Mayu Nakagawa1, Masashi Nakamura1, *Nagahiro Hoshi1

Venue B  [Clusters/particles/nanostructures]

14:40-14:58 2B10Polyoxometalate-Induced Structural Isomerization of Phosphine-Protected Metal Cluster
(Graduate School of Science, TMU1,Inst. Chem. Res., Kyoto Univ2,JASRI3,ESICB, Kyoto Univ.4,CREST, JST5) *Tomoki Matsuyama1, Yu Fujiki1, Hikaru Takaya2, Nobuhiro Yasuda3, Naoki Nakatani1, Jun Hirayama1,4, Seiji Yamazoe1,4,5
14:58-15:16 2B11The effect of alkynyl ligands on the luminescence properties of new gold clusters Au22(C≡CR)18
(Graduate Scool of Science, The Univ, of Tokyo.1,ESICB, Kyoto Univ.2) *Shun Ito1, Shinjiro Takano1, Tatsuya Tsukuda1,2
15:16-15:34 2B12Establishment of Evaluation Method for Equilibrium State of Ligand-Protected Metal Clusters Based on Photoluminescence Analysis
(College of Science, Rikkyo Univ.) *Yoshiki Niihori, Naoya Takahashi, Masaaki Mitsui
15:34-15:52 2B13Dynamic Behavior of Thiolate-Protected Gold–Silver 38-Atom Alloy Clusters in Solution
(Graduate School of Science, Tokyo Univ. Sci.) *Yuichi Negishi, Sayaka Hashimoto, Yoshiki Niihori
15:52-16:10 2B14Development of precise surface transformation reactions of gold superatoms mediated by hydride doping
(School of Science, The Univ. of Tokyo1,ESICB, Kyoto Univ.2) *Shinjiro Takano1, Shun Ito1, Tatsuya Tsukuda1,2
16:20-16:38 2B15Superparamagnetism and magnetic structure of nanosized antiferromagnetic NiO
(Muroran Tech.) Yuya Imamoto, Nobuya Uchida, Yudai Kikuchi, Keita Honda, *Toshifumi Iimori
16:38-16:56 2B16Magnetic behavior change with structural dependence of iron oxide magnetic clusters
(JST-ERATO1,Lab. Chem. Life Sci., Tokyo Tech.2) *Yumi Ida1, Makoto Tanabe1, Kimihisa Yamamoto1,2
16:56-17:14 2B17Mechanism of quintet multiexciton generation via intramolecular singlet fission
(Molecular Photoscience Research Center, Kobe Univ.1,Department of Chemistry, Faculty of Science and Technology, Keio Univ.2) *Kobori Yasuhiro1, Nagashima Hiroki1, Sakai Hayato2, Hasobe Taku2
17:14-17:50 2B18[Invited Talk] Structure assignment and isomer separation of gas-phase cluster ions: Application of ion mobility mass spectrometry
(Graduate School of Science, Tohoku Univ.) *Fuminori Misaizu

Venue C  [Liquid phase]

14:40-14:58 2C10Luminescence enhancement of dicyanogold (I) pentamer in aqueous solution, and nuclear wave motion
(Graduate School of Science and Engineering, University of Toyama1,Molecular Spectroscopy Laboratory, RIKEN2) *Munetaka Iwamura1, Rina Okada1, Koichi Nozaki1, Hikaru Kuramochi2, Tahei Tahara2
14:58-15:16 2C11Isomerization Response of Bianthrones to Solvent Viscosity
(Graduate School of Science, Osaka University) *Yasukazu Hirao, Yosuke Hamaoto, Nobuhiro Nagamachi, Takashi Kubo
15:16-15:34 2C12Time-resolved infrared spectroscopy with multivariate analysis on photo-induced proton transfer in aromatic urea-acetate anion complex
(Graduate School of Pure and Applied Sciences University of Tsukuba) *Masato Kondoh, Hayato Honda, Kei Togasaki, Yoshinobu Nishimura, Tatsuo Arai, Taka-aki Ishibashi
15:34-15:52 2C13Observation of the growth process of fibrous J-aggregate formation probed by linear dichroism
(Graduate School of Science, Osaka City Univ.) *Shunsuke Yamamoto, Tomoyuki Yatsuhashi, Kenji Sakota
15:52-16:10 2C14Time-resolved measurement on light induced nucleation of an azobenzene derivative
(Graduate School of Science, Kyoto Univ.1,Graduate School of Engineer, Kyushu Univ.2) *Ikuya Nakaoka1, Yusuke Nakasone1, Kazunari Sugiyasu2, Masahide Terazima1
16:20-16:38 2C15Microheterogeneity in Aqueous Acetonitrile Solution Probed by Soft X-ray Absorption Spectroscopy
(IMS1,SOKENDAI2) *Masanari Nagasaka1,2, Hayato Yuzawa1, Nobuhiro Kosugi1,2
16:38-16:56 2C16X-ray emission spectrum simulation of liquid water
(Department of Chemistry, Hiroshima Univ.1,MAX IV, Sweden2,ISSP, University of Tokyo3) *Osamu Takahashi1, Takashi Tokushima2, Yoshihisa Harada3
16:56-17:14 2C17Alpha-helix induction of melittin by 2,2,2-trifluoroethanol: Kirkwood-Buff integrals between the alcohol molecules using small-angle X-ray scattering
(Graduate School of Science, Chiba Univ.1,College of Life Sciences, Ritsumeikan Univ.2,Research Institute for Interdisciplinary Science, Okayama Univ.3) *Takeshi Morita1, Hiroyo Ohgi1, Hiroshi Imamura2, Tomonari Sumi3
17:14-17:32 2C18Spin manipulation of a weakly exchange-coupled system by pulsed ESR with arbitrary waveform pulse
(Graduate School of Science, Osaka City Univ.) *Kazunobu Sato, Rei Hirao, Kenji Sugisaki, Kazuo Toyota, Daisuke Shiomi, Takeji Takui
17:32-17:50 2C19Reaction controll of radical pairs by means of arbitrary wave generator.
(Graduate School of Science and Engineering, Saitama University1,Graduate School of Art and Science, University of Tokyo2,Keio University, Quantum Computing Center3) Kenta Masuzawa1, Masaya Sato2, Michihiko Sugawara3, *Kiminori Maeda1

Venue D  [Solid phase]

14:40-14:58 2D10Structure of thermally gradated chemochromic crystal containing volatile ligand
(Graduate School of Sciences and Technology for Innovation, Yamaguchi Univ.) *Misaki Shiga, Ryo Tsunashima
14:58-15:16 2D11Control of intra-lattice electron transfers in two-dimensional tetraoxolene-bridged Fe-based layers
(IMR, Tohoku Univ.1,Graduate School of Science, Tohoku Univ.2,Graduate School of Arts and Sciences, The University of Tokyo3) *Yoshihiro Sekine1,2, Jian Chen1,2, Atsushi Okazawa3, Hitoshi Miyasaka1,2
15:16-15:34 2D12Superionic Conduction over a Wide Temperature Range in a Metal-Organic Framework with Incorporated Ionic Liquids
(Graduate School of Science, Kyoto Univ.1,Kyocera Corporation2) *Yukihiro Yoshida1, Kazuyuki Fujie2, Dae-woon Lim1, Ryuichi Ikeda1, Hiroshi Kitagawa1
15:34-15:52 2D13Substituent Effect on the Neutral Radical State of Nickel Dithiolene Complexes with Pyrazine Skeletons
(Graduate School of Science, Kyoto Univ.1,Faculty of Education, Nagasaki Univ.2) *Yojiro Kimura1, Mikihiro Hayashi1,2, Yukihiro Yoshida1, Hiroshi Kitagawa1
15:52-16:10 2D14Development of tristable valence tautomeric complexes by molecular self-inclusion lattices
(Graduate School of Science and Engineering, Chuo Univ.1,Institute for Materials Research, Tohoku Univ.2) *Ryunosuke Konishi1, Wataru Kosaka2, Hitoshi Miyasaka2, Akinobu Nakada1, Ho-chol Chang1
16:20-16:38 2D15Multi-component charge transfer complexes including TTF and Chloranil
(Faculty of Sci., Hokkaido Univ.1,Grad. School of Chem. Sci, Hokkaido Univ.2) *Yukihiro Takahashi1,2, Mika Takehisa2, Eri Tanaka2, Jun Harada1,2, Tamotsu Inabe1,2
16:38-16:56 2D16Structures and Physical Properties of Electrical Conducting (Li+ or Na+)(Crown-Ether) −TCNQ Complexes
(Graduate School of Engineering, Tohoku Univ.1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku Univ.2,Research Institute for Electronic Science, Hokkaido Univ.3) *Kohei Sambe1, Norihisa Hoshino2, Takashi Takeda2, Takayoshi Nakamura3, Tomoyuki Akutagawa2
16:56-17:14 2D17Rotational Dynamics and Nuclear Spin Conversion of H2O Encapsulated in C60 at Low Temperatire
(Department of Chemistry, Kindai Univ.1,Graduate School of Science, Osaka Univ.2,Institute for Chemical Research, Kyoto Univ.3) *Hal Suzuki1, Motohiro Nakano2, Yoshifumi Hashikawa3, Yasujiro Murata3
17:14-17:32 2D18Acidic molecular sensor of benzothiazole derivative using fluorescent chromism
(Graduate School of Engineering, Tohoku Univ.1,IMRAM, Tohoku Univ.2,Chitose Institute of Science and Technology3) *Keigo Takahashi1, Takashi Takeda1,2, Norihisa Hoshino1,2, Ken-ichi Sakai3, Tomoyuki Akutagawa1,2
17:32-17:50 2D19H2O adsorption-desorption and electron transport properties of crystalline dianionic naphthalendiimide derivatives.
(Graduate School of Engineering, Tohoku Univ.1,IMRAM, Tohoku Univ.2,Graduate School of Engineering, Kyoto Univ.3) *Haruka Abe1, Ayumi Kawasaki1, Takashi Takeda1,2, Norihisa Hoshino1,2, Wakana Matsuda3, Shu Seki3, Tomoyuki Akutagawa1,2

Venue E  [Theory/Calculation]

14:40-15:16 2E10[Young Scientist Award Talk] Theoretical studies of reaction dynamics in gas and condensed phases
(IMS) *Toshifumi Mori
15:16-15:34 2E12Theoretical study of photochemical electrocyclic reaction dynamics of cyclohexadiene/hexatriene
(Mitsubishi Chemical Corporation1,Japan Atomic Energy Agency2,RIKEN3) *Takao Kobayashi1, Motoyuki Shiga2, Shinichiro Nakamura3
15:34-15:52 2E13Excited-state quantum dynamics with time-dependent matrix-product states
(Graduate School of Science, Kyoto Univ.) *Yuki Kurashige
15:52-16:10 2E14Molecular quantum dynamics on parameter spaces
(Kyoto University、FIFC) *Kazuo Takatsuka
16:20-16:56 2E15[Invited Talk] Challenges and Opportunities for Molecular Simulation in the Next Decade
(School of Science & Technology, Temple Univ.) *Michael Klein