Saturday, September 16 (Starting at 9:00)
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.
Venue A MorningVenue B MorningVenue C MorningVenue D Morning
Venue F Morning
Venue A AfternoonVenue B AfternoonVenue C AfternoonVenue D Afternoon Venue F Afternoon
Venue A AfternoonVenue B AfternoonVenue C AfternoonVenue D Afternoon Venue F Afternoon
Saturday Morning Session(September 16 Starting at 9:00)
| 9:00-9:18 | 2A01 | Structure and Electronic Interaction of Dibenzo-Crown Ether complexes with Metal Ion under Cold Gas-phase condition (Graduate School of Science, Hiroshima Univ.)*Motoki Kida,Takayuki Ebata,Yoshiya Inokuchi |
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| 9:18-9:36 | 2A02 | Gas phase spectroscopy of a partial peptide of adrenoceptor (SIVSF) - ligands complexes by electrospray / cold ion trap technique -“Bottom-up” approach for molecular recognition- (CLS, Tokyo Tech)*Tsubasa Sekiguchi,Masato Tamura,Shun-ichi Ishiuchi,Masaaki Fujii |
| 9:36-9:54 | 2A03 | Laser spectroscopy of hydrated clusters of protonated noradrenaline and observation of their conformational change by developing a reaction trap (Tokyo Institute of Technology1,Tokyo University of Science2)*Keisuke Yamaguchi1,Ken-ichi Kasai2,Shun-ichi Ishiuchi1,Kouichi Tsukiyama2,Masaaki Fujii1 |
| 9:54-10:12 | 2A04 | Vibrational-state-selected autoionization of jet-cooled methanethiol (CH3SH) investigated with infrared + vacuum ultraviolet photoionization (Department of Applied Chemistry and Institute of Molecular Science, National Chiao Tung Univer.1,Institute of Atomic and Molecular Sciences, Academia Sinica, Taiwan2)*Min Xie1,Yuan-pern Lee1,2 |
| 10:12-10:30 | 2A05 | Atomic gold-mediated homocoupling of methyl iodide in low-temperature noble gas matrices (Graduate School of Science, The Univ. of Tokyo1,Fudan Univ.2,ESICB, Kyoto Univ.3)*Satoru Muramatsu1,Xuan Wu2,Mohua Chen2,Mingfei Zhou2,Tatsuya Tsukuda1,3 |
| 10:30-10:40 | Break | |
| 10:40-10:58 | 2A06 | Frequency-domain and time-domain transition state spectroscopy for the cyclooctatetraene (Graduate School of Science and Engineering, Saitama Univ.)*Chihiro Tokizaki,Takahiko Yoshida,Toshiyuki Takayanagi |
| 10:58-11:16 | 2A07 | Four-state quantum control of molecular tunneling ionization by Fouriersynthesized laser fields (AIST1,UEC2)*Tsuyoshi Yoshida1,Naoaki Saitou1,Toru Morishita2,Hideki Ohmura1 |
| 11:16-11:34 | 2A08 | Reconstruction of molecular rotational wave packets based on ion-imaging experiments (Department of Chemistry, School of Science, Tokyo Institute of Technology.1,IMS2)*Kazuki Ueno1,Kenta Mizuse1,Yasuhiro Ohshima1,2 |
| 11:34-11:52 | 2A09 | Imaging of rotational eigenstates of nitric oxide in the electronic excited state (Tokyo Tech1,IMS2)*Dai Ikeda1,Kenta Mizuse1,Yasuhiro Ohshima1,2 |
| 11:52-12:10 | 2A10 | Optimal alignment contro of asymmetric top molecules toward time-resolved 3D x-ray diffraction imaging (Graduate School of Science, Tohoku Univ.)*Masataka Yoshida,Yukiyoshi Ohtsuki,Hirohiko Kono |
| 9:00-9:18 | 2B01 | Electronic interactions at interface between 2-dimensional layered materials induced by light irradiation (Institute for Molecular Science)*Kenji Iida,Masashi Noda,Katsuyuki Nobusada |
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| 9:18-9:36 | 2B02 | Photodynamics on Metal-ion Doped Ga2O3 Photocatalysts (Graduate School of Engineering, Toyota Technological Institute1,Graduate School of Engineering, Yamaguchi University2)*Yamakata Akira1,Junie Jhon M. vequizo1,Ishiyama Shouta2,Sakata Yoshihisa2 |
| 9:36-9:54 | 2B03 | Environmental effects on fluorescence characteristics of D-π-A-π-D quadrupolar dyes revealed by single-molecule spectroscopy (College of Science, Rikkyo Univ.1,Graduate School of Science, Shizuoka Univ.2)*Toshinari Mizukami1,Shouta Inoue2,Kenji Kobayashi2,Masaaki Mitsui1 |
| 9:54-10:30 | 2B04 | [Young Scientist Award Talk]Mass Spectrometric Study on Heterogeneous Radical Reactions (NIES)*Shinichi Enami |
| 10:30-10:40 | Break | |
| 10:40-10:58 | 2B06 | Heterodyne-detected vibrational sum-frequency generation measurement at silica/aqueous interfaces: the topmost water structure depending on the protonation state of the silica surface (Molecular Spectroscopy Lab., RIKEN1,RIKEN Center for Advanced Photonics2)*Shu-hei Urashima1,Satoshi Nihonyanagi1,2,Tahei Tahara1,2 |
| 10:58-11:16 | 2B07 | Structural relaxation and vibrational coupling at HDO and H2O ice-Ih(0001) surfaces (Graduate School of Science, Kyoto Univ.1,JST PRESTO2)*Yuji Otsuki1,Toshiki Sugimoto1,2,Norihiro Aiga1,Kazuya Watanabe1,Yoshiyasu Matsumoto1 |
| 11:16-11:34 | 2B08 | HD-SFG spectroscopy of single-crystalline surface of ice Ih (Graduate School of Science and Engineering, Saitama Univ.)*Yuki Nojima,Misato Takahashi,Shoichi Yamaguchi |
| 11:34-11:52 | 2B09 | Molecular dynamics simulation at ice surface: A relation between interfacial membered-ring structure and spectral intensity of sum frequency generation spectrum for free OH stretching region (Graduate School of Science and Engineering, University of Toyama1,Department of Chemistry, Graduate School of Science, Kyoto University2,Department of Chemistry, Graduate School of Science, Tohoku University3)*Tatsuya Ishiyama1,Yuji Otsuki2,Toshiki Sugimoto2,Akihiro Morita3,Kazuya Watanabe2,Yoshiyasu Matsumoto2 |
| 11:52-12:10 | 2B10 | Nuclear spin isomers of water molecules photodesorbed from ice at 10 K (Institute of Low Temperature Science, Hokkaido Univ.)*Tetsuya Hama,Akira Kouchi,Naoki Watanabe |
| 9:00-9:18 | 2C01 | Structural transformation of 2,2’-diamino-4,4’-bithiazole single crystals via guest sorption-desorption (Graduate School of Engneering, Tohoku Univ.1,IMRAM, Tohoku Univ.2,RIES, Hokkaidou Univ.3)*Hiroshi Nishiyama1,Takashi Takeda2,Norihisa Hoshino2,Shin-ichiro Noro3,Kiyonori Takahashi3,Takayoshi Nakamura3,Tomoyuki Akutagawa2 |
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| 9:18-9:36 | 2C02 | Ferroelectricity of non-planar alkyl-amide substituted helicene derivative (Graduate School of Engineering, Tohoku University1,Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University2,Graduate School of Pharmaceutical Sciences, Tohoku University3)*Hayato Anetai1,Takashi Takeda1,2,Norihisa Hoshino1,2,Higashi Kobayashi3,Nozomi Saito3,Masanori Shigeno3,Masahiko Yamaguchi3,Tomoyuki Akutagawa1,2 |
| 9:36-9:54 | 2C03 | Dielectric switching and polar gas adsorption induced phase transition of [Cu2(4-X-Benzoate)4(L)]n(X=H,Me,F,Cl,Br,I L=Pyrazine,Diazabicyclooctane) (Graduate School of Chem. and Eng., Hokkaido Univ.1,Graduate School of Science, Hokkaido Univ.2,RIES, Hokkaido Univ.3)*Shuhei Akahoshi1,Goro Maruta2,Yoshiyuki Kageyama2,Yukihiro Takahashi2,Shinichiro Noro3,Sadamu Takeda2 |
| 9:54-10:12 | 2C04 | Chemochromic behavior of two-dimensional lattice structure constructed by DABCO bridging coordination and hydrogen bond (Graduate School of Sciences and Technology for Innovation, Yamaguchi Univ.)*Misaki Shiga,Ryo Tsunashima |
| 10:12-10:30 | 2C05 | Redox active MOFs and their applications in Electrochemical energy storage (RCMS, Nagoya University)*Zhongyue Zhang,Kunio Awaga |
| 10:30-10:40 | Break | |
| 10:40-10:58 | 2C06 | Effects of surface molecular doping in molecular thin film transistors (Graduate school of Science, Nagoya Univ.)*Keitaro Eguchi,Kunio Awaga |
| 10:58-11:16 | 2C07 | Photoconductivity and Magnetoconductance Effect on Vacuum Vapor Deposition Films of Weak Charge-Transfer Complexes (Graduate School of Science, Osaka City Univ.1,Graduate School of Engineering, Osaka City Univ.2)*Shogo Hagi1,Ken Kato1,Masumi Hinoshita1,Eiji Shikoh2,Yoshio Teki1 |
| 11:16-11:34 | 2C08 | Alkyl chain length dependence of solution-processable organic semiconductors (AIST1,KEK-IMSS-PF/CMRC2,Univ. of Tokyo3)*Hiromi Minemawari1,Mutsuo Tanaka1,Seiji Tsuzuki1,Satoru Inoue1,Toshikazu Yamada1,Reiji Kumai2,Yukihiro Shimoi1,Tatsuo Hasegawa1,3 |
| 11:34-11:52 | 2C09 | Structure Analysis of BDTDA Honeycomb Lattice Monolayer Using a LEED Method (Center for Analytical Instrumentation, Chiba Univ.1,Graduate School of Advanced Integration Science, Chiba Univ.2,Faculty of Engineering, Yamanashi Univ.3,AIST4,Graduate School of Engineering, Chiba Univ.5)*Rie Suizu1,2,Daichi Hanamoto2,Masayuki Yamamoto3,Tetsuro Shirasawa4,Kazuyuki Sakamoto5 |
| 11:52-12:10 | 2C10 | Charge-transfer complexes based on low symmetric polycyclic aromatic hydrocarbon, benzo[ghi]perylene: comparison of their rotational and electronic properties with coronene (Graduate School of Science, Kyoto Univ.1,Faculty of Agriculture, Meijo Univ.2,Department of Applied Physics, Nagoya Univ.3,Department of Physics, Tohoku Univ.4,KYOKUGEN, Osaka Univ.5,Research Center for Low Temperature and Materials Sciences, Kyoto Univ.6,Toyota Physical and Chemical Research Institute7)*Yukihiro Yoshida1,2,Shunsuke Tango3,Kazuhide Isomura3,Yuto Nakamura3,Hideo Kishida3,Takashi Koretsune4,Masafumi Sakata5,Yoshiaki Nakano1,6,Hideki Yamochi1,6,Gunzi Saito2,7 |
| 9:00-9:18 | 2D01 | Dimer structures of Abeta by Hamiltonian replica-permutation molecular dynamics simulations (IMS1,Sokendai2)*Satoru Itoh1,2,Hisashi Okumura1,2 |
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| 9:18-9:36 | 2D02 | Proton coupled electron transfer in Cu-containing nitrite reductase (Graduate School of Life and Env. Sci., Kyoto Pref. Univ.1,Graduate School of Eng., Kyoto Univ.2)*Masami Lintuluoto1,Juha mikael Lintuluoto2 |
| 9:36-9:54 | 2D03 | Collision-induced successive electron transfer in a bio-inspired simple system; A nonadiabatic electron-wavepacket study (Fukui Institute for Fundamental Chemistry, Kyoto Univ.)*Kentaro Yamamoto,Kazuo Takatsuka |
| 9:54-10:12 | 2D04 | Theoretical analyses of the structural stability and function of cd1NiR:cNOR complex (RIKEN TMS1,RIKEN SPring-82,Graduate School of Life Sci., Univ. of Hyogo3,RIKEN iTHES4,RIKEN AICS5,RIKEN QBic6)*Kenta Yamada1,Takaharu Mori1,5,Kiyoshi Yagi1,Takehiko Tosha2,Yoshitsugu Shiro3,Yuji Sugita1,4,5,6 |
| 10:12-10:30 | 2D05 | Theoretical study on the structural changes and redox potentials of bilirubin oxidase (BOD) (Department of Chemistry, Graduate School of Science, Tohoku University1,Department of Physics, Graduate School of Pure and Applied Sciences, University of Tsukuba2,Center for computational sciences, University of Tsukuba3,Graduate School of Life Science, University of Hyogo4,Graduate School of Natural Science & Technology, Kanazawa University5)*Takaki Tokiwa1,2,Mitsuo Shoji3,Naoki Shibata4,Yoshiki Higuchi4,Kunishige Kataoka5,Yasuteru Shigeta3,Fuminori Misaizu1 |
| 10:30-10:40 | Break | |
| 10:40-10:58 | 2D06 | Theoretical study on the reaction dynamics of Pin1 peptidyl-prolyl isomerase (Institute for Molecular Science1,SOKENDAI2)*Toshifumi Mori1,2,Shinji Saito1,2 |
| 10:58-11:16 | 2D07 | A mathematical reaction model of the circadian rhythm of clock proteins constructed of elementary processes (Institute for Molecular Science1,The Graduate University for Advanced Studie2)*Shin-ichi Koda1,2,Shinji Saito1,2 |
| 11:16-11:34 | 2D08 | Study of isotope effect in RuBisCO carbon fixation reaction by using free energy calculation (Graduate School of Science and Technology, Sophia Univ.1,Graduate School of Medical Life Science, Yokohama City Univ.2)*Kenta Moriwaki1,Tianlong Jiang1,Osamu Kobayash2,Sebastian Danielache1,Shinkoh Nanbu1 |
| 11:34-11:52 | 2D09 | Free energy calculations of melittin pore formation in lipid membranes with molecular dynamics (Graduate School of Engineering, Nagoya Univ.)*Yusuke Miyazaki,Wataru Shinoda,Susumu Okazaki |
| 11:52-12:10 | 2D10 | Free energy profiles of lipid translocation across mixed lipid bilayers: a molecular dynamics study (RIKEN1,AIST2,JAIST3,Kanazawa Univ.4)*Hiroaki Saito1,Tetsuya Morishita2,Taku Mizukami3,Kazutomo Kawaguchi4,Hidemi Nagao4 |
| 9:18-9:36 | 2F02 | Truncation effects in perturbation based stochastic methods (Graduate School of System Informatics, Kobe University)Seiichiro Ten-no,*Bence Ladoczki |
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| 9:36-9:54 | 2F03 | Application of Monte Carlo correction CI method to excited states and quasi-degenerate electronic states (Institute for Catalysis, Hokkaido Univ.)*Yuhki Ohtsuka |
| 9:54-10:12 | 2F04 | Effect of Static Electric Field Application on Nonlinear Optical Properties of One-Dimensional π-Radical Aggregates (Grad. Sch. of Eng. Sci, Osaka Univ.)*Hiroshi Matsui,Koki Watanabe,Takanori Nagami,Masaki Yamane,Kishi Ryohei,Masayoshi Nakano |
| 10:12-10:30 | 2F05 | Theoretical study on open-shell nature and nonlinear optical properties in intramolecular pancake-bonding in helical molecules (Graduate School of Engineering Science, Osaka Univ.)*Shota Takamuku,Masayoshi Nakano |
| 10:30-10:40 | Break | |
| 10:40-11:16 | 2F06 | [Invited Talk]Theoretical Study on Electronic Resonance States (IMS1,SOKENDAI2,ESCIB, Kyoto Univ.3)*Masahiro Ehara1,2,3 |
| 11:16-11:34 | 2F08 | Qnantum Chemistry based on the exact solution of the Schroedinger equation: Free complement theory and its applications (Quantum Chemistry Researech Institute)*Hiroshi Nakatsuji,Hiroyuki Nakashima,Yusaku Kurokawa |
| 11:34-11:52 | 2F09 | Constricting exact Schrödinger database based on the solutions of the Schrödinger equations: Toward exact chemical informatics (Quantum Chemistry Research Institute)*Hiroyuki Nakashima,Hiroshi Nakatsuji |
| 11:52-12:10 | 2F10 | Low-rank approximation for excited states of molecular aggregates: energetics and dynamics of intermolecular processes (Graduate School of Science, Kyoto Univ.1,PRESTO2)*Yuki Kurashige1,2 |
Saturday Afternoon Sessions(September 16 Starting at 14:50)
Venue A [Clusters/particles/nanostructures]
| 14:50-15:08 | 2A11 | Detection and Separation of Nanomaterials with Ion Trap Ion Mobility Measurement System (Department of Chemistry, Toho University)*Toshiki Sugai,Yudai Hoshino,Hiroki Morita,Yuuta Hamano,Natsuki Terada,Fumiaki Uchiyama,Yuuki Nakano,Kazumasa Somei,Reona Miyamoto,Ryota Jinnouchi |
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| 15:08-15:26 | 2A12 | Carbon nano onions studied by ion mobility mass spectrometry (Institute for Excellence in Higher Education, Tohoku Univ.1,Graduate School of Science, Tohoku Univ.2)*Motoyoshi Nakano1,2,Ryoichi Moriyama2,Jenna Wu2,Keijiro Ohshimo2,Fuminori Misaizu2 |
| 15:26-15:44 | 2A13 | Structures of cerium oxide cluster cations studied by ion mobility mass spectrometry (Graduate School of Science, Tohoku Univ.1,Institute for Excellence in Higher Education, Tohoku Univ.2)*Toshiaki Nagata1,Jenna w. j. Wu1,Motoyoshi Nakano1,2,Keijiro Ohshimo1,Fuminori Misaizu1 |
| 15:44-16:02 | 2A14 | Chemical Stability of 3-5 Group Transition-Metal Atom Encapsulating Si16 Cage Nanocluster Superatoms Supported on a Substrate (Keio Univ.1,Keio KiPAS2)*Toshiaki Kamoshida1,Masahiro Shibuta2,Tsutomu Ohta1,Hironori Tsunoyama1,Atsushi Nakajima1,2 |
| 16:02-16:20 | 2A15 | Electronic structure and conformation of calix[4]arene complexes with alkali metal ions investigated by cold UV spectroscopy in the gas phase (Graduate Schoold of Science, Hiroshima Univ.)*Yoshiya Inokuchi,Kenta Hirai,Takayuki Ebata |
| 16:20-16:30 | Break | |
| 16:30-17:06 | 2A16 | [Invited Talk]Electronic structures of free metal clusters studied by spectroscopy and chemical reactivity (Faculty of Science, Kyushu University)*Akira Terasaki |
| 17:06-17:24 | 2A18 | Size dependence of freezing time of a water droplet evaporatively cooled in a vacuum (Department of Chemistry, Kyushu University)*Kota Ando,Masashi Arakawa,Akira Terasaki |
| 17:24-17:42 | 2A19 | Synthesis and evaluation of single-particle catalyst by use of tandem-trap apparatus (Gakushuin University)Tkaaki Eguchi,Shuto Ebara,*Jun-ya Kohno |
| 17:42-18:00 | 2A20 | Gas phase spectroscopy of denatured albumin ion produced by IR-ablation of droplet beam (Faculty of Science, Gakushuin Univ.)*Hiroya Asami,Tomoko Hasegawa,Jun-ya Kohno |
| 14:50-15:26 | 2B11 | [Invited Talk]Kinetic and geometoric isotope effects in adsorbed molecules (ISSP, Univ. of Tokyo)*Jun Yoshinobu |
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| 15:26-15:44 | 2B13 | Lateral distribution of unoccupied levels on rubrene thin films measured by two-photon photoemission (Graduate School of Science, Osaka Univ.)*Daijiro Okaue,Ryosuke Hayashi,Takashi Yamada,Toshiaki Munakata |
| 15:44-16:02 | 2B14 | Unoccupied electronic states at the perylene/graphite interface investigated by 2PPE (Graduate School of Science, Osaka Univ.)*Takashi Yamada,Natsumi Ito,Noriaki Kawakita,Hiroyuki Kato,Toshiaki Munakata |
| 16:02-16:20 | 2B15 | [Withdraw] |
| 16:20-16:30 | Break | |
| 16:30-16:48 | 2B16 | Dehydrogenation of n-alkane molecules on a Au(111) and Pt(111) surface (Faculty of Engineering, TUAT1,Faculty of Engineering, Chiba Univ.2,KEK-PF3)*Osamu Endo1,Masashi Nakamura2,Kenta Amemiya3,Hiroyuki Ozaki1 |
| 16:48-17:06 | 2B17 | Delocalized valence-band formation in molecule-metal networks (Institute for Molecular Science)*Hiroyuki Yamane,Nobuhiro Kosugi |
| 17:06-17:24 | 2B18 | Two competing isotope effects on isotope mixed ice sublimation (Graduate School of Science, Kyoto univ.1,JST PRESTO2)*Fumiaki Kato1,Kuniaki Harada1,Toshiki Sugimoto1,2,Kazuya Watanabe1,Yoshiyasu Matsumoto1 |
| 17:24-17:42 | 2B19 | Far- and deep-ultraviolet spectroscopy applied for interfacial ionic liquids on electrodes (Osaka University)*Ichiro Tanabe,Aki Suyama,Taiki Sato,Ken-ichi Fukui |
| 17:42-18:00 | 2B20 | Li+ Addition Effect on Ionic Liquid/Pt Electrode Interfacial Structure (Tokyo Tech.1,Kansai Univ.2,Shanghai Univ.3)Yujiro Miwa1,Takashi Iwahashi1,Yasunari Sakai1,Masaki Yamagata2,Masashi Ishikawa2,Wei Zhou3,*Yukio Ouchi1 |
| 14:50-15:08 | 2C11 | Development of organic semiconductors including TTF and chloranil (Faculty of Sci., Hokkaido Univ.1,Gra. School of Chem. and Sci, Hokkaido Univ.2)*Yukihiro Takahashi1,2,Mika Takehisa2,Eri Tanaka2,Jun Harada1,Tamotsu Inabe1 |
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| 15:08-15:26 | 2C12 | Photoinduced metal-to-dimer-Mott-insulator transition in κ-(BEDT-TTF)2X by dynamical localization (Nagoya Institute of Technology1,JST CREST2)*Shu Ohmura1,2,Kodai Ohya1,Akira Takahashi1,2 |
| 15:26-15:44 | 2C13 | Pressure effects on hydrogen and pi-electron coupled organic conductors, kappa-X3(Cat-EDT-TTF)2 [X = H, D]: electrical resistivity and X-ray diffraction (ISSP, The Univ. of Tokyo1,KEK PF/CMRC2,RIKEN3)*Akira Ueda1,Kouki Kishimoto1,Shota Yamada1,Takayuki Isono1,3,Kensuke Kobayashi2,Reiji Kumai2,Youichi Murakami2,Hatsumi Mori1 |
| 15:44-16:02 | 2C14 | Asymmetric distributions of electrical charges on Me4N[Pt(dmit)2]2 and Me4P[Pd(dmit)2]2 (Graduate School of Science and Engineering, Ehime University1,RIKEN2)*Takashi Yamamoto1,2,Koh Takasugi1,Toshio Naito1,Reizo Kato2 |
| 16:02-16:20 | 2C15 | Low temperature structures of self-doped purely paramagnetic organic metal, κ-β´´-(BEDT- TTF)2(PO-CONHC2H4SO3) (Graduate School of Science, Osaka Univ.1,Institute for Molecular Science2)*Hiroki Akutsu1,Mikio Uruichi2,Hiroshi Yamamoto2,Yasuhiro Nakazawa1 |
| 16:20-16:30 | Break | |
| 16:30-16:48 | 2C16 | Synthesis of new TTP Derivatives with Reduced pi-system: Structures and properties of their cation radical salts (Graduate School of Science and Engineering, Ehime University1,Research Unit for Power Generation and Storage Materials, Ehime University2,Research Unit for Development of Organic Superconductors, Ehime University3,Research Unit for Materials Science under Ultra-high Pressure, Ehime University4,Graduate School of Material Science, University of Hyogo5)*Takashi Shirahata1,2,3,Bin alias Mohamad safuwan1,Naoya Kinoshita1,Keisuke Furuta1,Takashi Yamamoto1,3,4,Toshio Naito1,3,Jun-ichi Yamada5,Yohji Misaki1,2,3 |
| 16:48-17:06 | 2C17 | Low temperature electronic phase diagram of β"-type organic conductors (Graduate School of Science, Osaka Univ.1,School of Science, Nottingham Trent Univ.2)*Shusaku Imajo1,Hiroki Akutsu1,Alexander Morrit2,Lee Martin2,Yasuhiro Nakazawa1 |
| 17:06-17:24 | 2C18 | Quantum spin liquid state in an organic hyper-kagome lattice (Grad. Sch. of Sci., Nagoya Univ.1,Dept. of Phys, Nara Women’s Univ.2)*Asato Mizuno1,Yoshiaki Shuku1,Michio Matsushita m.1,Masahisa Tsuchiizu2,Yuuki Hara1,Taku Matsushita1,Nobuo Wada1,Yasuhiro Shimizu1,Kunio Awaga1 |
| 17:24-18:00 | 2C19 | [Young Scientist Award Talk]Development of novel phase transition devices utilizing strongly-correlated molecular conductors (Institute for Molecular Science1,RIKEN2)*Masayuki Suda1,2 |
| 14:50-15:08 | 2D11 | Efficient geometry optimization and reaction analysis of biopolymers (Kyushu Univ.1,JST-CREST2)*Yuriko Aoki1,2,Wataru Mizukami1,Masahiro Ito1,Yuuichi Orimoto1 |
|---|---|---|
| 15:08-15:26 | 2D12 | Quantum chemistry methods for reaction mechanism analysis and functional design in biomolecules (Kyushu Univ.1,JST-CREST2)*Yuuichi Orimoto1,Ayaka Shiomi1,Yuriko Aoki1,2 |
| 15:26-15:44 | 2D13 | Molecular dynamics calculations of lipid bilayers with asymmetric lipid composition between leaflets (Department of Materials Chemistry1,Center for Computational Science, Graduate School of Engineering, Nagoya University2)Shiho Hayakawa1,*Yosimichi Andoh2,Susumu Okazaki1,2 |
| 15:44-16:02 | 2D14 | Analysis of near-infrared spectra of short-, medium-, and long-chain fatty acids supported by anharmonic quantum mechanical calculations (School of Science and Technology, Kwansei Gakuin University1,Faculty of Chemistry, Jagiellonian University2)*Justyna Grabska1,Krzysztof Beć1,Mika Ishigaki1,Marek Wójcik2,Yukihiro Ozaki1 |
| 16:02-16:20 | 2D15 | Inhomogeneous fluctuation of the hydration structure surrounding oxyluciferin anion (ISSP, Univ. Tokyo1,JAEA2,OPERANDO-OIL3,Nagoya Univ.4)*Miyabi Hiyama1,Yoshifumi Noguchi1,Motoyuki Shiga2,Osamu Sugino1,Hidefumi Akiyama1,3,Nobuaki Koga4 |
| 16:20-16:30 | Break | |
| 16:30-16:48 | 2D16 | Theoretical study on proton dynamics in bacteriorhodopsin using DC-DFTB-MD simulations (Advanced Science and Engineering, Waseda Univ.1,RISE, Waseda Univ.2,JST-CREST3,ESICB, Kyoto Univ.4)*Junichi Ono1,Minori Imai1,Yoshifumi Nishimura2,Hiromi Nakai1,2,3,4 |
| 16:48-17:06 | 2D17 | Vibronic coupling effect on circular dichroism spectrum: carotenoid–retinal interaction in xanthorhodopsin (Faculty of Pharmaceutical Sciences, Hokuriku Univ.1,Univ. of California, Irvine2)*Kazuhiro Fujimoto1,Sergei Balashov2 |
| 17:06-17:24 | 2D18 | Spectroscopic study on the proton transport mechanism of light-driven inward proton pump rhodopsin (Graduate School of Engineering, Nagoya Inst. Tech.1,Optbio. Nagoya Inst. Tech.2,JST･PRESTO3,Ist. Front. Sci. Initiative, Kanazawa Univ.4,Bio-AFM Front. Res. Center, Kanazawa Univ.5,Graduate School of Science, Nagoya Univ.6)*Keiichi Inoue1,2,3,Shota Ito1,Yoshitaka Kato1,Yurika Nomura1,Mikihiro Shibata4,5,Takayuki Uchihashi6,Satoshi Tsunoda1,3,Hideki Kandori1,2 |
| 17:24-17:42 | 2D19 | Light-driven cation pumping mechanism of a sodium ion pump derived by its chromophore structure (Graduate School of Science, Osaka University1,Nagoya Institute of Technology2)Nao Nishimura1,*Misao Mizuno1,Hideki Kandori2,Yasuhisa Mizutani1 |
| 17:42-18:00 | 2D20 | Structural basis for achieving the spectral blue shift of primate blue sensitive pigment (Grad. Sch. Eng., Nagoya Inst. Tech.1,Primate Res. Inst., Kyoto Univ.2)*Kota Katayama1,Yuki Nonaka1,Kei Tsutsui2,Hiroo Imai2,Hideki Kandori1 |
| 14:50-15:08 | 2F11 | Theoretical analysis for high efficiency of triplet-triplet annihilation based photon upconversion (Center for computational sciences, Tsukuba Univ.1,Inorganic functional materials research institute, AIST2,Institute for molecular science3)*Ryuma Sato1,Hirotaka Kitoh-nishioka1,Kenji Kamada2,Takeshi Yanai3,Yasuteru Shigeta1 |
|---|---|---|
| 15:08-15:26 | 2F12 | Hydrogen nuclear quantum effect on the nuclear magnetic shielding tensors of the three phases of water (Graduate School of Information Sciences, Hiroshima City University1,Graduate School of Nanobiosciense, Yokohama City University2)*Yusuke Kanematsu1,2,Masanori Tachikawa2,Yu Takano1 |
| 15:26-15:44 | 2F13 | New complete prediction of EPR measurement by quantum electromagnetics (QED) (Kyoto University)*Akitomo Tachibana |
| 15:44-16:20 | 2F14 | [Invited Talk]Interplay between electronic structures and molecular dynamics (Faculty of Sci and Tech, Keio Univ.)*Satoshi Yabushita |
| 16:20-16:30 | Break | |
| 16:30-16:48 | 2F16 | Development of a non-iterative combination of MC-MOZ method and MO theory using linear response approximation (JAEA)*Kentaro Kido |
| 16:48-17:06 | 2F17 | How structural changes affect the paranitrophenol spectrum in aqueous solution: Insights from multiconfigurational calculations and the free energy gradient method (Institute of Physics, University of São Paulo, Brazil1,Graduate School of Informatics, Nagoya University, Japan2,Core Research for Evolutional Science and Technology (CREST), Japan Science and Technology Agency, Japan3)*Carlos Bistafa1,2,3,Yukichi Kitamura2,3,Masataka Nagaoka2,3,Sylvio Canuto1 |
| 17:06-17:24 | 2F18 | Vibrational Spectroscopic Analysis of Aromatic Polyamide Reverse Osmosis Membranes (RIKEN)*Donatas Surblys,Taro Yamada,Kiyoshi Yagi,Yuji Sugita |
| 17:24-17:42 | 2F19 | Ab initio evaluation of Hamaker constants towards wettability control (School of Information Science, JAIST1,PRESTO, JST2,NIMS3)*Kenta Hongo1,2,3,Ryo Maezono1 |