Wednesday, September 12 (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.
Venue A Morning
Venue B Morning
Venue C Morning
Venue D Morning
Venue E Morning
Venue A Afternoon Venue B Afternoon Venue C Afternoon Venue D Afternoon Venue E Afternoon
Venue A Afternoon Venue B Afternoon Venue C Afternoon Venue D Afternoon Venue E Afternoon
Wednesday Morning Sessions(September 12, starting at 9:08)
| 9:08-9:26 | 3A01 | Electronic structure of picene crystalline films on Cu(111) studied by UPS, MAES, and first-principles calculation (Graduate School of Arts and Sciences, The University of Tokyo1,Graduate School of Engineering, Yokohama National University2) *Kosuke Isono1, Takafumi Higuchi1, Takanori Koitaya1, Masaru Aoki1, Ken-ichi Shudo2, Masuda Shigeru1 |
|---|---|---|
| 9:26-9:44 | 3A02 | Interfacial π-π interaction-induced delocalization of molecular orbital and electron-phonon coupling (RIKEN SPring-81,Institute of Materials Structure Science2,Institute for Molecular Science3) *Hiroyuki Yamane1, Nobuhiro Kosugi2,3 |
| 9:44-10:02 | 3A03 | Vacuum level shift at Alq3/LiF/Al interfaces: a first-principles study (Ichihara Research Center, JNC Petrochemical Corporation) *Masakazu Kondo, Takeshi Matsushita |
| 10:02-10:20 | 3A04 | Control of Photoinduced Electron Transfer at the Interface between Heterogeneous Two-Dimensional Layered Materials by Applied Electrode Bias (IMS1,Tsukuba Univ.2) *Kenji Iida1, Masashi Noda2, Katsuyuki Nobusada1 |
| 10:20-10:30 | Break | |
| 10:30-10:48 | 3A05 | In-situ ultra-low frequency SERS observation of electrode surfaces (NITech) Motoharu Inagaki, Kenta Motobayashi, *Katsuyoshi Ikeda |
| 10:48-11:06 | 3A06 | Site recognition on single molecular junction based on SERS and IV (Tokyo Institute of Technology) *Manabu Kiguchi, Satoshi Kaneko |
| 11:06-11:24 | 3A07 | A D-π-D dye that exhibits remarkably different excited-state behaviors under interface and bulk environments (College of Science, Rikkyo Univ.1,Graduate School of Science, Shizuoka Univ.2) *Masaaki Mitsui1, Yasushi Takakura1, Yoshiki Niihori1, Masashi Nakamoto2, Yutaka Fujiwara2, Kenji Kobayashi2 |
| 11:24-11:42 | 3A08 | Control of the single-molecule conductance of C60 (Department of Chemistry, School of Science, Tokyo Institute of Technology1,Institute for Chemical Research, Kyoto University2) *Haruna Cho1, Shintaro Fujii1, Manabu Kiguchi1, Yoshifumi Hashikawa2, Yasujiro Murata2 |
| 11:42-12:00 | 3A09 | Single-molecule discrimination of neurotransmitters with machine learning (Osaka Univ. ISIR) *Yuki Komoto, Takahito Ohshiro, Takayuki Takaai, Takeshi Yoshida, Takashi Washio, Masateru Taniguchi |
Venue B [Clusters/particles/nanostructures]
| 9:08-9:26 | 3B01 | Speciation of isopolymolybdate(VI) in a highly concentrated HNO3 solution by Raman and EXAFS spectroscopies (National Institutes for Quantum and Radiological Science and Technology1,Japan Atomic Energy Agency2,School of Engineering, the University of Tokyo3) *Morihisa Saeki1,2, Takumi Yomogida2, Daiju Matsumura2, Takumi Saito3, Ryuzo Nakanishi1, Takuya Tsuji2, Yoshihiro Okamoto2, Hironori Ohba1,2 |
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| 9:26-9:44 | 3B02 | Creation of novel catalysts for acetic acid hydrogenation using the interface between platinum nanoparticle and metal–organic framework (Fac. Sci., Kyushu Univ.1,WPI-I2CNER, Kyushu Univ.2,RIKEN SPring-8 Center3) *Shotaro Yoshimaru1, Masaaki Sadakiyo1,2, Kenichi Kato3, Miho Yamauchi1,2 |
| 9:44-10:20 | 3B03 | [Invited Talk (Mizushima-Raman Lecture)]Application of Raman Spectroscopy from MOFs to Drug Discovery (JNCASR) *Chandrabhas Narayana |
| 10:20-10:30 | Break | |
| 10:30-11:06 | 3B05 | [Invited Talk]Interfacial synthesis of coordination nanosheets and their functions (School of Science, Univ. Tokyo) *Hiroshi Nishihara |
| 11:06-11:24 | 3B07 | Development of three dimensional holey porous graphene based metal-free hydrogen evolution electrodes (Graduate School of Pure and Applied Sciences, University of Tsukuba1,PRESTO, Japan Science and Technology Agency2,Toyama Prefectural University3) *Hirotaka Kuramochi1, Kailong Hu1, Mitsuru Wakisaka2,3, Jun-ichi Fujita1, Yoshikazu Ito1,2 |
| 11:24-11:42 | 3B08 | Facilitaion of oxygen evolution reaction on LDH nanosheet electrode by Au cluster loading (International Institute for Carbon-Neutral Energy Research, Kyushu University) *Sho Kitano, Miho Yamauchi |
| 11:42-12:00 | 3B09 | Thermodynamic, kinetic, and encapsulation properties of self-assembled nancubes in water (Graduate School of Arts and Sciences, The University of Tokyo) Yi-yang Zhan, Tatsuo Kojima, Satoshi Takahashi, *Shuichi Hiraoka |
| 9:08-9:26 | 3C01 | Heterodyne-detected chiral vibrational sum frequency generation spectroscopy in the transmission geometry (Graduate School of Pure and Applied Sciences, University of Tsukuba) *Masanari Okuno, Taka-aki Ishibashi |
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| 9:26-9:44 | 3C02 | Development of transient two-dimensional electronic spectroscopy for visualizing evolution of nuclear wavepacket in reactive excited states (JST PRESTO1,Ultrafast Spectroscopy Research Team, RAP2,Molecular Spectroscopy Lab., RIKEN3) *Hikaru Kuramochi1,2,3, Satoshi Takeuchi2,3, Tahei Tahara2,3 |
| 9:44-10:02 | 3C03 | Nuclear wavepacket motions and relaxation processes of electronically excited trimer and tetramer of tetracyano platinum(II) complexes in aqueous solutions (Graduate School of Science and Engineering, University of Toyama1,Molecular Spectroscopy Laboratory, RIKEN,2) *Munetaka Iwamura1, Koichi Nozaki1, Hikaru Kuramochi2, Satoshi Takeuchi2, Tahei Tahara2 |
| 10:02-10:20 | 3C04 | Non-adiabatic dynamics of hydrated electron studied by time- and angle-resolved photoemission spectroscopy (Graduate School of Science, Kyoto University) *Shutarou Karashima, Toshinori Suzuki |
| 10:20-10:30 | Break | |
| 10:30-10:48 | 3C05 | The solvation effect on the excited state lifetime of the model molecule of retinal (Graduate School of Nanobioscience, Yokohama City Univ.1,Graduate School of Science and Technology, Sophia Univ.2,School of Data Science, Yokohama City Univ.3) *Osamu Kobayashi1, Shinkoh Nanbu2, Masanori Tachikawa1,3 |
| 10:48-11:06 | 3C06 | Long fluorescence lifetime of cis-stilbene in nanocube aqueous solution (Faculty of Science, Department of chemistry, Gakushuin Univ.1,Graduate School of Arts and Sciences, The Univ. of Tokyo2) *Mizuho Kajita1, Liao Jingyuan2, Tomohisa Takaya1, Shuichi Hiraoka2, Koichi Iwata1 |
| 11:06-11:24 | 3C07 | Structural Dynamics and Emission Properties on Thermally Assisted Delayed Fluorescence Molecules (Department of Chemistry, Kyushu Univ.1,Department of Chemistry, Tokyo Institute of Technology2,OPERA, Kyushu University3,ERATO, Japan Science and Technology Agency4,Fukui Institute for Fundamental Chemistry, Kyoto University5) *Kiyoshi Miyata1, Masaki Saigo1, Sei-ichi Tanaka2, Tatsuhiko Mukuta2, Hajime Nakanotani3,4, Chihaya Adachi3,4, Tohru Sato5, Ken Onda1 |
| 11:24-11:42 | 3C08 | Photochromic reaction of hydroxychalcone and flavenol monitored by time-resolved infrared spectroscopy (Graduate School of Pure and Applied Sciences, University of Tsukuba1,School of Science, Hiroshima University2,Graduate School of Science, Hiroshima University3,Center for Quantum Life Science, Hiroshima University4) *Masato Kondoh1, Akira Sakuta1, Kazuki Okazawa2, Dai Akase3,4, Misako Aida3,4, Taka-aki Ishibashi1 |
| 9:08-9:26 | 3D01 | Structure of ionic crystal consisting of protonated hexamethylenetetramine (Graduate School of Science and Technology for Innovation, Yamaguchi Unv.1,School of Engineering, Tohoku Univ.2,Institute of Multidisciplinary Research for Advanced Materials, Tohoku Univ.3) *Hagino Morita1, Norihisa Hoshino2,3, Tomoyuki Akutagawa2,3, Ryo Tsunashima1 |
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| 9:26-9:44 | 3D02 | Melting phenomenon of one-dimensional coordination polymer (EmIm)2[Mn(N)(CN)4] (Graduate School of Science and Technology, Kumamoto University) *Tomoaki Hiraoka, Ryo Ohtani, Shinya Hayami |
| 9:44-10:02 | 3D03 | Catechol-fused Metal-dithiolene Complexes: Various Assembled Structures Based on Hydrogen Bonds and Metal Substitution Effects (ISSP, The University of Tokyo1,KEK PF/CMRC2) *So Yokomori1, Akira Ueda1, Reiji Kumai2, Youichi Murakami2, Hatsumi Mori1 |
| 10:02-10:20 | 3D04 | Phase transition behavior of a [2-pyrrolidone]-[chloranilic acid] molecular complex with drastic rearrangements of double hydrogen-bonded chains (Graduate School of Science, Kyoto Univ.1,Japan Synchrotron Radiation Research Institute2) *Masaki Donoshita1, Mikihiro Hayashi1, Ryuichi Ikeda1, Yukihiro Yoshida1, Shogo Kawaguchi2, Kunihisa Sugimoto2, Hiroshi Kitagawa1 |
| 10:20-10:30 | Break | |
| 10:30-10:48 | 3D05 | Magnetic properties of 1D iron(III) and nickel(III) chain complexes with dithiolene ligands (IGPR, Chiba Univ.1,Grad. Sch. of Eng., Chiba Univ.2,Grad. Sch. of Adv. Int. Sci., Chiba Univ.3,Grad. Sch. of Sci., Nagoya Univ.4) *Rie Suizu1,2, Daichi Hanamoto3, Katsuyoshi Hoshino2, Kazuyuki Sakamoto2, Kunio Awaga4 |
| 10:48-11:06 | 3D06 | Development of square planar iron coordination polymers consisting of [M(CN)4]2- (M = Pd, Pt) units (Department of Chemistry, Graduate School of Science and Technology, Kumamoto Univ1,Department of Chemistry, Faculty of Advanced Science and Technology, Kumamoto Univ.2) *Hiromu Matsunari1, Ryo Ohtani2, Shinya Hayami2 |
| 11:06-11:24 | 3D07 | Polar molecule absorption into one dimensional channels of coordination polymer and their dielectric response (Graduate School of Chemical Science and Engineering, Hokkaido Univ.1,Graduate School of Science, Hokkaido Univ.2) *Keitaro Ogi1, Sadamu Takeda2, Goro Maruta2, Yoshiyuki Kageyama2 |
| 11:24-11:42 | 3D08 | Selective CO2 sorption and dielectric responses of one-dimensional copper coordination polymer (RIES, Hokkaido Univ.1,IMRAM, Tohoku Univ.2,Faculty of Envron. Earth Sci. Hokkaido Univ.3) *Kiyonori Takahashi1, Norihisa Hoshino2, Shin-ichiro Noro3, Tomoyuki Akutagawa2, Takayoshi Nakamura1 |
| 11:42-12:00 | 3D09 | Syntheses of porous molecular conductors by using naphthalene-diimide-based ligand (Graduate School of Science, Tohoku Univ.1,AIMR, Tohoku Univ.2,Nankai Univ.3) *Hiroaki Iguchi1, Liyuan Qu1, Momoka Miyata1, Kenta Ueno1, Shinya Takaishi1, Masahiro Yamashita1,2,3 |
| 9:26-9:44 | 3E02 | Excited-state population of He exposed to intense laser fields by multiconfiguration time-dependent Hartree-Fock method (School of Science, The University of Tokyo1,Institute of Chemistry, Eötvös Loránd University2,MTA-ELTE Complex Chemical Systems Research Group3,Fakultät für Physik, Universität Bielefeld4,Optical Sciences Center, University of Arizona5) *Erik Lötstedt1, Tamás Szidarovszky2,3, Farhad Faisal4,5, Tsuyoshi Kato1, Kaoru Yamanouchi1 |
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| 9:44-10:02 | 3E03 | Real-space Implementation of time-dependent muticonfiguration and coupled-cluster methods (School of Engineering, The University of Tokyo) *Takeshi Sato, Kenichi Ishikawa |
| 10:02-10:20 | 3E04 | Population inversion in laser-driven nitrogen molecular ions by quasi-stationary Floquet theory (Graduate School of Science, The University of Tokyo) *Youyuan Zhang, Erik Lötstedt, Kaoru Yamanouchi |
| 10:20-10:30 | Break | |
| 10:30-10:48 | 3E05 | Method Development with the Fragment Molecular Orbital and Density-Functional Tight-Binding Methods Aiming at Applications to Nanomaterials (FIFC, Kyoto Univ.1,CF-FMat, AIST2) *Yoshio Nishimoto1, Dmitri Fedorov2 |
| 10:48-11:06 | 3E06 | Development of automatic error control scheme for divide-and-conquer MP2 calculation (Graduate School of Chemical Sciences and Engineering1,Faculty of Science2,PRESTO-JST3,ESICB4) *Toshikazu Fujimori1, Masato Kobayashi2,3,4, Tetsuya Taketsugu1,2,4 |
| 11:06-11:24 | 3E07 | [Withdraw] |
| 11:24-11:42 | 3E08 | Development of Fragment Molecular Orbital-based GW Method (Institute for Molecular Science) *Takatoshi Fujita |
| 11:42-12:00 | 3E09 | Analysis Tools for Linear Scaling Quantum Chemistry Calculations (RIKEN R-CCS) *William Dawson, Takahito Nakajima |
Wednesday Afternoon Sessions(September 12, starting at 13:00)
| 13:00-13:18 | 3A10 | Modulation of plasmonic response of alkali atomic layer by two-dimensional materials (Depertment of Chemistry, Kyoto University, Japan1,Institute for Molecular Science, Okazaki, Japan2,Toyota Institute of Physical and Chemical Resarch, Nagakute, Japan3,Precursory Research for Embryonic Science and Technology (PRESTO), Japan Science and Technology Agency (JST), Saitama, Japan4) *Tatsuya Yoshida1, Shunsuke Tanaka1, Kazuya Watanabe1, Toshiki Sugimoto2,4, Yoshiyasu Matsumoto3 |
|---|---|---|
| 13:18-13:36 | 3A11 | Surface sinsitivity of plasmon respnance sensors working in far-ultraviolet region (Graduate School of Engineering Science, Osaka Univ.) *Ichiro Tanabe, Musashi Shimizu, Rikuto Kawabata, Ken-ichi Fukui |
| 13:36-13:54 | 3A12 | A theoretical study of plasmon enhanced Raman spectroscopy (Graduate School of chemical Sciences and Engneering, Hokkaido Univ.1,Graduate school of science, Hokkaido Univ.2,ESICB, Kyoto Univ.3) *Masato Takenaka1, Takeshi Iwasa1,2,3, Tetsuya Taketsugu1,2,3 |
| 13:54-14:12 | 3A13 | Structure of interfacial water on graphene/SiC(0001) electrode (Graduate School of Engineering, Chiba Univ.1,National Institute for Materials Science2) *Masashi Nakamura1, Ryota Hayashi1, Osami Sakata2, Nagahiro Hoshi1 |
| 14:12-14:25 | Break | |
| 14:25-15:01 | 3A14 | [Invited Talk]Pico-Newton force sensing at liquid-solid interfaces (Graduate School of Science, Kobe Univ.) *Hiroshi Onishi |
| 15:01-15:19 | 3A16 | Analysis of the interface structure between electrode and electrolyte for fluoride-ion shuttle battery by atomic force microscopy (Office of Society-Academia Collaboration for Innovation, Kyoto University1,Department of Chemistry, Kobe University2,Graduate School of Global Environmental Studies, Kyoto University3) *Taketoshi Minato1, Hiroaki Konishi1, Hiroshi Onishi2, Takeshi Abe3, Zempachi Ogumi1 |
| 15:19-15:37 | 3A17 | Enhancement of the oxygen reduction reaction on sigle crystal electrodes of Pt (Graduate School of Engineering, Chiba University) *Nagahiro Hoshi, Keiichiro Saikawa, Masashi Nakamura |
| 13:00-13:18 | 3B10 | Coherent control of photoelectron angular distribution of He and Ne atoms by two-color extreme ultraviolet laser (Graduate school of engineering, the University of Tokyo) *Oyunbileg Tugs, Yuki Orimo, Takeshi Sato, Kenichi Ishikawa |
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| 13:18-13:36 | 3B11 | Ultrafast nonadiabatic cascade and subsequent photofragmentation of XUV excited caffeine molecule (IMR, Tohoku, Univ.1,CNRS-iLM, Univ. Lyon 12,Graduate School of Science, Hokkaido Univ.3,CNR-INFM, Politecnico of Milano4,PCI, Univ. Heidelberg5) *Kaoru Yamazaki1, Alexandre Marciniak2, Satoshi Maeda3, Maurizio Reduzzi4, Victor Despre2, Mehdi Meziane2, Thomas Niehaus2, Alexander Kuleff5, Giuseppe Sansone4, Franck Lepine1,2 |
| 13:36-13:54 | 3B12 | Optimal control of IBr photodissociation by dynamic Stark effects (Graduate School of Science, Tohoku Univ.) Tomohiro Tashiro, Masataka Yoshida, *Yukiyoshi Ohtsuki |
| 13:54-14:12 | 3B13 | Laser induction of coherent pi-electron dynamics for probing molecular chirality (Ton Duc Thang University1,National Chiao-Tung University, Department of Applied Chemistry2,Dongguk University3) Hirobumi Mineo1, Shen Lin2, Gap-sue Kim3, *Yuichi Fujimura2 |
| 14:12-14:25 | Break | |
| 14:25-14:43 | 3B14 | Infrared spectroscopic study on ionization process of ethylene glycol (Graduate School of Science, Tohoku Univ.) *Yoshiyuki Matsuda, Ayumu Matsuura, Takahiro Kamiyama, Asuka Fujii |
| 14:43-15:01 | 3B15 | Photoelectron spectroscopy of microhydrated (2-pyridone/2-hydroxypyridine) dimer anions (Graduate School of Science, Tohoku Univ.) *Toshihiko Maeyama, Asuka Fujii |
| 15:01-15:19 | 3B16 | Laser spectroscopic study of jet-cooled sinapic acid and its hydrogen-bonded complex with water (Graduate School of Science, Hiroshima University1,Institute for Materials Research, Tohoku University2) *Seiya Kenjo1, Yuji Iida1, Nobumasa Chaki1, Shin-nosuke Kinoshita1, Yoshiya Inokuchi1, Kaoru Yamazaki2, Takayuki Ebata1 |
| 15:19-15:37 | 3B17 | Laser spectroscopic study of cinnamic acid derivatives and their hydrated complexes by using laser ablation / jet cooling method. (Graduate School of Science, Hiroshima Univ.) *Yuji Iida, Seiya Kenjo, Nobumasa Chaki, Yoshiya Inokuchi, Takayuki Ebata |
| 13:00-13:18 | 3C10 | Single-molecule fluorescence lifetime correlation revealed multiple protein dynamics regulating photosynthetic energy transport (Dept. Chem., MIT1,MIT-Harvard Center for Excitonics2,Dept. Biotech., Univ. Verona3) *Toru Kondo1,2, Jesse Gordon1,2, Alberta Pinnola3, Luca Dall'osto3, Roberto Bassi3, Gabriela Schlau-cohen1,2 |
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| 13:18-13:36 | 3C11 | Label-free visualization of intracellular temperature using O-H stretching Raman band of water. (Faculty of Pharmaceutical Science, Tohoku Univ.1,Graduate School of Pharmaceutical Science, Tohoku Univ.2) *Toshiki Sugimura1, Shinji Kajimoto1,2, Takakazu Nakabayashi1,2 |
| 13:36-14:12 | 3C12 | [Invited Talk]Water in a cell: spectroscopic measurements and understanding of intracellular environments (Graduate School of Pharmaceutical Sciences, Tohoku Univ.) *Takakazu Nakabayashi |
| 14:12-14:25 | Break | |
| 14:25-14:43 | 3C14 | Direct observation of H₂O / D₂O exchange dynamics in a white adipocyte (Faculty of Pharmaceutical Sciences, Tohoku Univ.1,Graduate School of Pharmaceutical Sciences, Tohoku Univ.2) *Aya Yanamisawa1, Shinji Kajimoto1,2, Futaba Sumitani2, Takakazu Nakabayashi1,2 |
| 14:43-15:01 | 3C15 | Microspectroscopic Raman Metabolic Imaging of a Filamentous Fungus (Kwansei Gakuin Univ.1,Univ. of Tsukuba2) *Mitsuru Yasuda1, Norio Takeshita2, Shinsuke Shigeto1 |
| 15:01-15:19 | 3C16 | Optical simulation of an aberration from interfacial refraction in cryogenic fluorescence microscopy (Physics Tokyo Tech) *Keita Ishida, Satoru Fujiyoshi, Michio Matsushita |
| 15:19-15:37 | 3C17 | Optical imaging of individual double stranded DNA using cryogenic fluorescence microscope (Dept. of Phys., Tokyo Tech.) *Taku Furubayashi, Keita Ishida, Michio Matsushita, Satoru Fujiyoshi |
| 13:00-13:18 | 3D10 | Iodine-mediated interactions and phase transition behavior in (EDO-TTF-I)2ClO4 (Dep. Chem., Sch. Sci., Kyoto Univ.1,Institute for molecular science2,HIGH ENERGY ACCELERATOR RESEARCH ORGANIZATION3,Agency for Health, Safety and Environment4) *Kohdai Ishida1, Yuhsuke Takahashi1, Yoshiaki Nakano1, Manabu Ishikawa4, Hideki Yamochi1, Mikio Uruichi2, Rie Haruki3, Reiji Kumai3, Shin-ichi Adachi3, Akihiro Otsuka1,4 |
|---|---|---|
| 13:18-13:36 | 3D11 | Structure and Properties of a Novel Charge-Transfer Salt: Me2(SMe)2TTF-TCNQ (Tokyo Institute of Technology1,University of Rennes 12) *Yasuhiro Kiyota1, Ie-rang Jeon2, Olivier Jeannin2, Tadashi Kawamoto1, Takehiko Mori1, Marc Fourmigue2 |
| 13:36-13:54 | 3D12 | Synthesis, structures, and properties of catechol-TTF-based novel hydrogen-bonded charge-transfer salts exhibiting a semiconductor-insulator transition (The Institute for Solid State Physics, The Univ. of Tokyo1,CMRC and Photon Factory, Institute of Materials Structure Science, KEK2) *Akira Ueda1, Reiji Kumai2, Youichi Murakami2, Hatsumi Mori1 |
| 13:54-14:12 | 3D13 | Phase transition behavior of the charge ordered material, (TMTTF)3[TTF(CO2)4H2] (Division of Chemistry in Graduate School of Science, Kyoto University1,Agency for Health, Safety, and Environment, Kyoto University2,Institute for molecular science3,HIGH ENERGY ACCELERATOR RESEARCH ORGANIZATION4) *Takashi Hirahara1, Kentaro Murakami1, Keita Uenaka1, Manabu Ishikawa2, Akihiro Otsuka1,2, Yoshiaki Nakano1,2, Hideki Yamochi1,2, Rie Haruki4, Reiji Kumai4, Shin-ichi Adachi4, Mikio Uruichi3 |
| 14:12-14:25 | Break | |
| 14:25-14:43 | 3D14 | Size effect on excited-state relaxation of single copper phthalocyanine nanorods (Gdaruate School of Science and Engineering, Ehime Univ.) *Yukihide Ishibashi, Ryo Kihara, Ryo Kawasaki, Tsuyoshi Asahi |
| 14:43-15:01 | 3D15 | Observation of the dynamics for nonlinear emission in an organic – inorganic perovskite crystal by femtosecond transient absorption microscopy (School of Science and Technology Kwansei Gakuin Univ.) *Tetsuro Katayama, Naoto Tamai |
| 15:01-15:19 | 3D16 | Mode selective excitation of Coherent phonons in single crystalline rubrene (NAIST MS) *Keisuke Yano, Hiroyuki Katsuki, Hisao Yanagi |
| 15:19-15:37 | 3D17 | Magnetoluminescence of an emissive stable radical doped into host molecular crystals (Grad.Sch. Sci. The Univ. of Tokyo) *Tetsuro Kusamoto, Shun Kimura, Hiroshi Nishihara |
| 13:00-13:18 | 3E10 | Improvement of size-consistent multi-partitioning QM/MM method toward an practical application (RCAST, UTokyo1,App. Chem., Grad. Sch. Eng., UTokyo2,PRESTO, JST3,Fac. Sci. Tech., Keio Univ.4) *Hiroshi Watanabe1,2,3,4 |
|---|---|---|
| 13:18-13:36 | 3E11 | Development of a Methodology of the Extended QM/MM Approach and Its Benchmark Tests (Graduate School of Science, Tohoku Univ.1,ESCIB, Kyoto University2) *Hideaki Takahashi1, Akihiro Morita1,2 |
| 13:36-13:54 | 3E12 | Anharmonic Vibrational Analysis of Biomolecules based on QM/MM potential (RIKEN, Theoretical Molecular Science Lab.) *Kiyoshi Yagi, Yuji Sugita |
| 13:54-14:12 | 3E13 | Development of Analytic Second Order derivative based on FMO-PCM Hessian (Kyocera1,AIST2) *Hiroya Nakata1, Dmitri Fedorov2 |
| 14:12-14:25 | Break | |
| 14:25-14:43 | 3E14 | First-principle combined with microkinetics and reaction engineering applied to methane oxidative coupling (Japan Science and Technology Agency1,National Institute of Materials Science2,Kyoto University3) *Atsushi Ishikawa1,2,3, Yoshitaka Tateyama2,3 |
| 14:43-15:01 | 3E15 | Theoretical Study on Asymmetric Mannich Reaction by 1,2,3,4,5-Pentacarboxycyclopentadiene (PCCP) (Faculty of Engineering, Fukuoka Institute of Technology1,Institute for Materials Chemistry and Engineering, Kyushu University2) *Takashi Kamachi1, Masashi Saitoh2, Kazunari Yoshizawa2 |
| 15:01-15:19 | 3E16 | The Elucidation of Reaction Mechanism of Polyalcohol Dehydration in Hot Pressurized Water with Metadynamics Calculations (Graduate School of Frontier Sciences, Tokyo University1,Japan Atomic Energy Agency2) *Yong lik Chang1, Takehiko Sasaki1, Motoyuki Shiga2 |
| 15:19-15:37 | 3E17 | Reaction mechanism of oxygen and C-H bond activation processes by a dicopper complex (IMCE, Kyushu Univ.1,Graduate School of Science and Engineering, Doshisha Univ.2) *Yuta Hori1, Yoshihito Shiota1, Tomokazu Tsuji2, Masahito Kodera2, Kazunari Yoshizawa1 |