Wednesday, 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.You can open an abstract (pdf file) by following a link of Presentation Number from this web site.
Venue A MorningVenue B MorningVenue C MorningVenue D MorningVenue E Morning
Venue A afternoonVenue B afternoonVenue C afternoonVenue D afternoonVenue E afternoon
Venue A afternoonVenue B afternoonVenue C afternoonVenue D afternoonVenue E afternoon
Wednesday Morning Sessions(September 16, starting at 9:00)
| 9:18-9:36 | 1A02 | The laser spectroscopic study on the hydrogen-bonding structure of protonated histidine in the gas-phase (Kitasato Univ.1,Kitasato Univ.2)*Makoto Kondo1,Yasutoshi Kasahara2,Haruki Ishikawa2 |
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| 9:36-9:54 | 1A03 | Real-time observation of intramolecular charge transfer reaction and solvent reorientation of (p-cyanophenyl)pentamethyldisilane-water by picosecond time-resolved IR spectroscopy (Chemical Resources Laboratory, Tokyo Institute of Technology1,School of Science, Kitasato University2)*Saori Matsuyama1,Tsubasa Sekiguchi2,Mitsuhiko Miyazaki1,Haruki Ishikawa2,Masaaki Fujii1 |
| 9:54-10:30 | 1A04 | [Invited Talk]Structures and dynamics of hydrogen-bonded clusters in the gas phase (Faculty of Sciences, Kyushu University)*Hiroshi Sekiya |
| 10:30-10:40 | Break | |
| 10:40-10:58 | 1A06 | Rearrangement of hydrogen bond network in mono-hydrated 5-hydroxyindole cluster cation (Graduate School of Science, , Kyushu Univ.)*Takamasa Ikeda,Kenji Sakota,Hiroshi Sekiya |
| 10:58-11:16 | 1A07 | Picosecond time-resolved IR spectroscopy of 5-hydroxyindole water cluster ―Real-time observation of photoionization-induced water migration dynamics― (Chemical Resources Laboratory, Tokyo Institute of Technology1,Faculty of Sciences Kyushu University2)*Ayumi Naito1,Takamasa Ikeda2,Mitsuhiko Miyazaki1,Kenji Sakota2,Hiroshi Sekiya2,Masaaki Fujii1 |
| 11:16-11:34 | 1A08 | Hydrogen bonding networks and vibrational frequencies of water molecules in water clusters (Graduate School of Science, Hiroshima Univ.1,QuLiS2)*Dai Akase1,2,Misako Aida1,2 |
| 11:34-11:52 | 1A09 | Temperature effect on the photodissociation spectra of [PhOH(H2O)n]+ in the temperature-variable ion trap (Kitasato Univ.1,Kitasato Univ.2)*Reona Yagi1,Yasutoshi Kasahara2,Haruki Ishikawa2 |
Venue B [Clusters/Particles/Nanostructures]
| 9:18-9:36 | 1B02 | XAFS study on effect of molybdenum addition on photo-induced particle formation of palladium (Japan Atomic Energy Agency1,School of Science and Technology, Kwansei Gakuin Univ.2,Research Laboratory for Nuclear Science, Tokyo Institute of Technology3,Graduate School of Science, Osaka City Univ.4)*Morihisa Saeki1,Daiju Matsumura1,Takumi Yomogida1,Tomitsugu Taguchi1,Takuya Tsuji1,Syougo Kusano2,Tatsuya Miyazaki2,Koichiro Takao3,Hironori Ohba1,Nobuaki Nakashima4,1 |
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| 9:36-9:54 | 1B03 | Highly selective glycolic acid synthesis via electroreduction of oxalic acid on a titanium dioxide catalyst (I2CNER, Kyushu Univ.1,JST-CREST2,Graduate School of Engineering, Kyoto University3,Faculty of Engineering, Iwate University4)*Miho Yamauchi1,2,Ryota Watanabe1,2,Ryu Abe2,3,Tatsuya Takeguchi2,4 |
| 9:54-10:12 | 1B04 | Mechanistic Insights of Ligand Exchange Reaction of Thiolate-Protected Metal Clusters by Usage of High-Performance Liquid Chromatography (Faculty of Science, Tokyo University of Science)*Yoshiki Niihori,Yoshihiro Kikuchi,Ayano Kato,Yuichi Negishi |
| 10:12-10:30 | 1B05 | Structural Changes of D-Penicillaminato Cu14 Clusters Investigated by Terahertz Spectroscopy (RIKEN1,Graduate School of Science, Osaka Univ.2,CREST/JST3)*Hal Suzuki1,Chiko Otani1,Nobuto Yoshinari2,Takumi Konno2,3 |
| 10:30-10:40 | Break | |
| 10:40-10:58 | 1B06 | Nano Carbon Prepared from Explosive Metal Acetylide (College of Humanities and Sciences, Nihon Univ.)*Ken Judai,Ryoshu Sato,Yoshikiyo Hatakeyama |
| 10:58-11:16 | 1B07 | Microparticle formation induced by femtosecond laser filamentation in gaseous C2H4 (Graduate School of Science, Nagoya Univ.)*Akitaka Matsuda,Takahiro Hayashi,Akiyoshi Hishikawa |
| 11:16-11:34 | 1B08 | Aggregation state of concentrated carbon nanotube dispersion observed by polarized dynamic light scattering microscope (Grad. Sch. of Sci., Univ. of Tokyo1,AIST2,ISSP3)*Takashi Hiroi1,Seisuke Ata2,Mitsuhiro Shibayama3 |
| 11:34-11:52 | 1B09 | Highly effective energy harvesting by using three dimensional nanoporous graphene (WPI-AIMR, Tohoku Univ.1,JST-CREST2)Yoshikazu Ito1,H.-j. Qiu1,Takeshi Fujita1,*Mingwei Chen1,2 |
| 11:52-12:10 | 1B10 | A mechanism of charge separation in the initial-stage dynamics of photo-induced water splitting in X-Mn-Water (X=OH, OCaH) and electron-proton acceptors; An electron wavepacket study (Graduate School of Arts and Science)*Kentaro Yamamoto,Takatsuka Kazuo |
| 9:00-9:18 | 1C01 | Valence electronic structure of multilayer silicene on Ag(111) (Graduate School of Arts and Sciences, The Univ. of Tokyo1,Graduate School of Frontier Sciences, The Univ. of Tokyo2,NIMS3)*Takeshi Hagino1,Chun-liang Lin2,Ryo Nagao2,Yujiro Ito1,Kazuaki Kawahara2,Ryuichi Arafune3,Maki Kawai2,Noriaki Takagi2,Masaru Aoki1,Shigeru Masuda1 |
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| 9:18-9:36 | 1C02 | Electronic excited state dynamics of graphene/Cs/Ir(111) (Department of Chemistry, Kyoto University1,Institut za fiziku2,Ruđer Bošković Institute3)*Shunsuke Tanaka1,Shota Takahashi1,Kazuya Watanabe1,Petrovic Marin2,Kralj Marko2,Lazic Predrag3,Sugimoto Toshiki1,Matsumoto Yoshiyasu1 |
| 9:36-9:54 | 1C03 | Angle-resolved two-photon photoemission spectroscopy for the image potential states of lead phthalocyanine film on graphite (Graduate School of Science, Osaka Univ.)*Chiaki Okui,Noriaki Kawakita,Takashi Yamada,S. hiroyuki Kato,Toshiaki Munakata |
| 9:54-10:12 | 1C04 | Mechanism of rotational excitation in inelastic-electron-tunneling spectroscopy for physisorbed H2 (Graduate School of .Science, Kyoto University1,Center for Advanced Research of Energy and Materials, Hokkaido University,2,Institute of Industrial Science, The University of Tokyo3)*Toshiki Sugimoto1,Yuji Kunisada2,Katsuyuki Fukutani3 |
| 10:12-10:30 | 1C05 | Superstructures and STM-based local spectroscopy at rubrene/HOPG interface (Graduate School of Science, Osaka Univ.)*Takashi Yamada,Yu Watanabe,Mariko Kinoshita,Takahiro Ueba,Hiroyuki Kato,Toshiaki Munakata |
| 10:30-10:40 | Break | |
| 10:40-10:58 | 1C06 | Influence of the film structure on excited electronic state dynamics of oligothiophene self-assembled monolayer (Graduate School of Science, Osaka Univ.)*Yuji Osumi,Yoshinari Murakami,Daijiro Okaue,Riyo Saitoh,Yoshiaki Kiriyama,Takashi Yamada,Hiroyuki s. Kato,Toshiaki Munakata |
| 10:58-11:16 | 1C07 | Surface charge-transfer effect in core-excitation dynamics (Graduate School of Science, Hiroshima Univ.1,Hiroshima Synchrotron Radiation Center, Hiroshima Univ.2)*Shin-ichi Wada1,2,Syunki Hosoda1,Ryosuke Koga1,Hironori Hayashita1,Jumpei Kajikawa1,Atsunari Hiraya1,2 |
| 11:16-11:34 | 1C08 | The affection of molecular structure to electronic structure at the organic /metal interface by thermal induced atomic desorption (Chiba Univ.1,IMS2)*Keiichirou Yonezawa1,Yui Ioka1,Tatsuhiro Tago1,Hiroyuki Yamane2,Nobuhiro Kosugi2,Hiroyuki Yoshida1,Satoshi Kera1,2 |
| 11:34-12:10 | 1C09 | [Young Scientist Award Talk]Systematic Study on Electronic Structure of Organic Thin Films and Interfaces by Photoemission Spectroscopy with Synchrotron Radiation (Institute for Molecular Science)*Hiroyuki Yamane |
| 9:18-9:36 | 1D02 | The structure and electronic state of a novel four-legged MX-tube typed Platinum complex with large-pore aperture size (Graduate School of Science Kyoto University1,JST-CREST2,JASRI/SPring-83)*Ken-ichi Otake1,Kazuya Otsubo1,2,Kunihisa Sugimoto3,Akihiko Fujiwara3,Hiroshi Kitagawa1,2 |
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| 9:36-9:54 | 1D03 | Magnetic properties of π-stacked pillared layer frameworks with intercalated [MCp*2]+ (Graduate School of Science, Tohoku Univ.1,Institute for Materials Research (IMR), Tohoku Univ.2)*Hiroki Fukunaga1,Yoshihiro Sekine2,Wataru Kosaka2,Koji Taniguchi2,Hitoshi Miyasaka2 |
| 9:54-10:12 | 1D04 | Study on fast cation transportation in coordination polymer crystals (Graduate School of Engineering, Kyoto Univ.1,iCeMS, Kyoto Univ.2)*Naoki Ogiwara1,Satoshi Horike1,Susumu Kitagawa1,2 |
| 10:12-10:30 | 1D05 | A coordination cluster as a precursor for porous metal oxide (Graduate School of Science, Hokkaido Univ.1,Graduate School of Engineering, Hokkaido Univ.2)*Kenji Hirai1,Shigehito Isobe2,Kazuki Sada1 |
| 10:30-10:40 | Break | |
| 10:40-11:16 | 1D06 | [Invited Talk]Cross Road between Materials Science and Solid-State Electrochemistry (Nagoya Univ, School of Science)*Kunio Awaga |
| 11:16-11:34 | 1D08 | Construction of the K4 Structure Formed by a Triangular π Radical Anion (Graduate School of Science, Nagoya Univ.1,RCMS, Nagoya Univ.2,CREST, JST3,Graduate School of Advanced Integration Science, Chiba Univ.4)*Asato Mizuno1,Yoshiaki Shuku1,Rie Suizu3,4,Michio Matsushita1,Masahisa Tsuchiizu1,Kunio Awaga1,2,3 |
| 11:34-11:52 | 1D09 | Theoretical study on open-shell character and third-order nonlinear optical property for diradical molecule aggregates (Department of Chemical Engineering, NITNC1,Graduate School of Engineering Science, Osaka University2)*Kyohei Yoneda1,Kotaro Fukuda2,Masayoshi Nakano2 |
| 11:52-12:10 | 1D10 | Ab initio calculations of electrochemical properties of cathode materials for Li- and Na-ion batteries. (ESICB, Kyoto University1,Department of Molecular Engineering, Kyoto University2)*Maxim Shishkin1,Hirofumi Sato1,2 |
| 9:36-9:54 | 1E03 | Development and implementation of exchange correlation functional that simulates the static correlation (Graduate School of Science, Tohoku Univ.)*Hideaki Takahashi,Akihiro Morita |
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| 9:54-10:12 | 1E04 | Reaction analysis theory based on orbital energies (Fuel Cell Nanomaterials Center, Univ. Yamanashi)*Takao Tsuneda |
| 10:12-10:30 | 1E05 | [Canceled]Long-range exchange interactions in the electronic structures of large systems (Fuel Cell Nanomaterials Center, University of Yamanashi, Kofu 400-0021, Japan1,National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan2)*Raman k. Singh1,Ayako Nakata2,Takao Tsuneda1 |
| 10:30-10:40 | Break | |
| 10:40-10:58 | 1E06 | Development of MPI/OpenMP hybrid parallel program for large-scale time-dependent density functional theory calculations (RIKEN AICS)*Michio Katouda,Takahito Nakajima |
| 10:58-11:16 | 1E07 | Construction of the exchange repulsion in QM/MM approach and its application to QM/MM-ER simulation (Graduate School of Science, Tohoku Univ.1,ESICB, Kyoto Univ.2)*Satoru Umino1,Hideaki Takahashi1,Akihiro Morita1,2 |
| 11:16-11:34 | 1E08 | Analyses on the orbital energy of thiophene-based donor–acceptor semiconducting polymers (RIKEN, AICS1,Graduate School of science, Tokyo metropolitan university2,RIKEN, CEMS3)*Toru Matsui1,Yutaka Imamura2,Itaru Osaka3,Kazuo Takimiya3,Takahito Nakajima1 |
| 11:34-11:52 | 1E09 | Estimation of complete basis set limit in electron correlation energy utilizing machine learning (RISE, Waseda Univ.1,School of Advanced Science and Engineering, Waseda Univ.2,JST-CREST3,ESICB, Kyoto Univ.4)*Junji Seino1,Masaki Okoshi4,Hiromi Nakai1,2,3,4 |
| 11:52-12:10 | 1E10 | Divide-and-conquer density-functional tight-binding molecular dynamics (DC-DFTB-MD) simulation for nano-scale chemical reaction systems (Theoretical and Computational Chemistry Initiative, Institute for Molecular Science1,Research Institute for Science and Engineering, Waseda Univ.2,Department of Chemistry and Biochemistry, Waseda Univ.3,CREST, Japan Science and Technology Agency4,ESICB, Kyoto Univ.5)*Yoshifumi Nishimura1,2,Aditya wibawa Sakti3,Hiromi Nakai2,3,4,5 |
Wednesday Afternoon Sessions(September 16, starting at 13:20)
| 13:20-13:38 | 1A11 | Fourier transform microwave spectroscopy of H2S-AgSH (Shizuoka Univ, Faculty of Science)*Jumpei Shirasaki,Emi Okabayashi,Toshiaki Okabayasi |
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| 13:38-13:56 | 1A12 | Gas-phase laser spectroscopy of cold metal ion-calixarene complexes (Graduate School of Science, Hiroshima Univ.)*Yoshiya Inokuchi,Kazuki Soga,Kenta Hirai,Motoki Kida,Takayuki Ebata |
| 13:56-14:14 | 1A13 | Hydrogen-bonding interactions of uric acid complexes with water/melamine revealed by mid-infrared spectroscopy (Graduate School for Bio- and Nanosystem Sciences, Yokohama City Univ.)*Hiroyuki Saigusa,Daisuke Nakamura,Shu-hei Urashima |
| 14:14-14:32 | 1A14 | Cage effects in phenol derivative…18-crown-6 host-guest complexes in gas phase (Graduate School of Science, Hiroshima Univ.)*Fumiya Morishima,Yoshiya Inokuchi,Takeharu Haino,Takayuki Ebata |
| 14:32-14:50 | 1A15 | Effects of hydrogen bond network on the structure and photofragmentation of protonated phenylalanine serine dimers (Graduate School of Science, Hokkaido Univ.1,JST-CREST2,Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.3)*Kaoru Yamazaki1,2,Makito Takagi3,Yu Harabuchi1,2,Satoshi Maeda1,2,Tetsuya Taketsugu1,2 |
| 14:50-15:00 | Break | |
| 15:00-15:18 | 1A16 | Theoretical study on mechanism of excited state proton transfer in 1-naphthol solvated clusters (Chemical Resources Laboratory, Tokyo Institute of Technology)*Toshihiko Shimizu,Shunpei Yoshikawa,Shun Manita,Mitsuhiko Miyazaki,Masaaki Fujii |
| 15:18-15:36 | 1A17 | Study on structural isomers and their temperature-dependence of acetylene large clusters by two-dimensional correlation infrared spectroscopy (Graduate School of Integrated Science and Technology, Shizuoka University1,Graduate School of Material Science, University of Hyogo2)*Yoshiteru Matsumoto1,Ryuto Yoshiura2,Kenji Honma2 |
| 15:36-15:54 | 1A18 | Stepwise internal energy control for protonated methanol clusters by using the messenger technique (Graduate School of Science, Tohoku Univ.)*Takuto Shimamori,Asuka Fujii |
Venue B [Clusters/Particles/Nanostructures]
| 13:38-13:56 | 1B12 | Analysis of ligand-free Suzuki Reaction in a water solvent (Graduate School of Engineering, Osaka Univ.1,JAEA2,Faculty of Science, Univ. of the Ryukyus3)*Teruo Hirakawa1,Yuta Uramoto1,Atsuya Takeda1,Daisuke Mimura1,Takashi Ikeda2,Suzumu Yanagisawa3,Kouji Inagaki1,Yoshitada Morikawa1 |
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| 13:56-14:14 | 1B13 | Evaluation of the magnetic anisotropy and intermolecular coupling of triangular nickel(II) complex ions [Ni3(tmen)3(μ3-X)(μ3-Y)(μ2-Z)3]+ (Grad. Sch. Sci. Eng., The Univ. of Electro-Communications)*Yumi Ida,Takayuki Ishida |
| 14:14-14:32 | 1B14 | Theoretical study of effect on spin state for electron conductivity of one-dimensional Ni complexes (Graduate School of Engineering Science, Osaka Univ.)*Yasutaka Kitagawa,Taku Takebayashi,Mizuki Asaoka,Koji Miyagi,Masayoshi Nakano |
| 14:32-14:50 | 1B15 | Geometry and electronic structure of mixed-metal nanoparticles Cu38-nMn. A theoretical study (ESICB, Kyoto Univ.1,IMS2,AICS, RIKEN3,FIFC, Kyoto Univ.4,JST-CREST5)*Nozomi Takagi1,Kazuya Ishimura2,Masafuyu Matsui1,Ryoichi Fukuda1,2,Toru Matsui3,Takahito Nakajima3,Masahiro Ehara1,2,Shigeyoshi Sakaki1,4,5 |
| 14:50-15:00 | Break | |
| 15:00-15:18 | 1B16 | Steady-state and transient behaviors in CO oxidation catalyzed by uni-sized Pt clusters constructed on Si surface (Cluster Res. Lab., Toyota Tech. Inst.1,East Tokyo Lab., Genesis Res. Inst., Inc.2)*Hisato Yasumatsu1,Nobuyuki Fukui2 |
| 15:18-15:36 | 1B17 | First-principles dynamical simulations on reaction mechanisms of oxidation on CO catalyzed by the supported Al doped Pt cluster (Institute for Molecular Science1,ESICB2,IPCMS3)*Kenichi Koizumi1,2,Katsuyuki Nobusada1,2,Mauro Boero3 |
| 15:36-15:54 | 1B18 | Electronic property at solid/organic interface and its functions (Institute for Molecular Science)*Kenji Iida,Masashi Noda,Katsuyuki Nobusada |
| 15:54-16:12 | 1B19 | Preparation and catalytic application of Pt nanoparticles supported on coordination polymers (Fac. Sci., Kyushu Univ.1,WPI-I2CNER, Kyushu Univ.2,CREST, JST3,RIKEN SPring-8 Center4)*Shotaro Yoshimaru1,Masaaki Sadakiyo2,3,Kenichi Kato3,4,Miho Yamauchi1,2,3 |
| 16:12-16:30 | 1B20 | Roles of cation and anion in stabilization of gold nanoparticle in ionic liquids (Graduate School of Advanced Integration Science, Chiba Univ.1,College of Humanities and Sciences, Nihon Univ.2)*Yoshikiyo Hatakeyama1,Ken Judai2,Kei Onishi1,Satoshi Takahashi1,Satoshi Kimura1,Keiko Nishikawa1 |
| 13:20-13:38 | 1C11 | Adsorption states of cis- and trans-2-butene on a Cu(410) surface (Graduate School of Science, Osaka Univ.)*Kotaro Takeyasu,Takamasa Makino,Michio Okada |
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| 13:38-13:56 | 1C12 | Construction of nanocables using physisorbed monolayers. (1) An alternate system of polydiacetylene and polyacetylene (Grad. Sch. Engin., Tokyo Univ. Agric. & Technol.1,Fac. Engin., Tokyo Univ. Agric. & Technol.2,Sch. Sci., Kitasato Univ.3)*Shohei Okuda1,Elian Permatasari2,Shunya Yamazaki1,Takashi Ino1,Kenta Kikuchi1,Hiroyuki Ozaki1,Osamu Endo1,Hideaki Oike1,Masashi Hasegawa3,Yasuhiro Mazaki3 |
| 13:56-14:14 | 1C13 | Reversible adsorption and desorption of alkyl chains on a Au(111) electrode (TUAT1,Chiba Univ.2,KEK-PF3)*Osamu Endo1,Masashi Nakamura2,Kenta Amemiya3,Hiroyuki Ozaki1 |
| 14:14-14:32 | 1C14 | Surface oxidation of Au (111) electrode in alkaline solution (Graduate School of Engineering, Chiba Univ.)*Masashi Nakamura,Ken Kato,Yo Nakajima,Nagahiro Hoshi |
| 14:32-14:50 | 1C15 | Determination of real surface structure of Pt3Co(331) electrode using SXD (Graduate School of Engineering, Chiba Univ.)*Nagahiro Hoshi,Yohei Kihara,Masashi Nakamura |
| 14:50-15:00 | Break | |
| 15:00-15:18 | 1C16 | First electronic transition of liquid water adsorbed on an alumina surface studied by far-ultraviolet spectroscopy (Kwansei Gakuin University)*Takeyoshi Goto,Yukihiro Ozaki |
| 15:18-15:36 | 1C17 | Salt effect on solvation behaviors of oxygen nanobubbles (Univ. Tsukuba)*Yoshinobu Nishimura,Tatsuo Arai |
| 15:36-15:54 | 1C18 | Solubility of hydrophobic molecules in the liquid-vapor interface of water (Graduate School of Science, Kyoto Univ.1,Graduate School of Natural Science and Technology, Okayama Univ.2)*Kiharu Abe1,Tomonari Sumi2,Kenichiro Koga2 |
| 15:54-16:12 | 1C19 | Self-driven motion of oil-droplet accompanied by photo-chemical reaction (Faculty of Science, Kanagawa Univ.1,Toyota Phys. Chem. Res. Inst.2)*Kentaro Suzuki1,Naoyuki Nakayama1,Tadashi Sugawara1,2 |
| 16:12-16:30 | 1C20 | In-situ study of interfacial radical reaction in the atmosphere and living system (The Hakubi Center, Kyoto Univ.1,RISH, Kyoto Univ.2)*Shinichi Enami1,2 |
| 13:20-13:38 | 1D11 | Synthesis and Magnetic Properties of Complex with Methylphenyl Nitronyl nitroxide radical (Graduate School of Science, Hiroshima Univ.1,Center of Chiral Science2,Institute for Advanced Materials Research3)*Natsuki Morita1,Sadafumi Nishihara1,2,3,Katsuya Inoue1,2,3 |
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| 13:38-13:56 | 1D12 | Comparison of the magnetic properties for lanthanoid complexes with 2,2’-bipyridin-6-yl t-butyl nitroxide and ketone (UEC-Tokyo1,Institute for Materials Research, Tohoku University2)*Takuya Kanetomo1,Hiroyuki Nojiri2,Takayuki Ishida1 |
| 13:56-14:14 | 1D13 | Crystal structures and optical properties of copper complexes composed of novel acceptor ligands (Graduate School of Science, Kobe University)*Mitsunobu Okai,Kazuyuki Takahashi,Takashi Uchino,Tomoyuki Mochida |
| 14:14-14:32 | 1D14 | Spectroscopic studies of photomerocyanine produced from spiropyran included in cyclodextrin (Graduate School of Agriculture, TUAT1,United Gradate School of Agrcultural Science, TUAT2)*Tomomasa Wada1,Norio Yoshimura2,Masao Takayanagi2 |
| 14:32-14:50 | 1D15 | Design of conducting porous coordination polymer based on first-principles calculations (Graduate School of Science, Kyoto University1,JST-CREST2)*Tokutaro Komatsu1,Jared m. Taylor1,2,Tasuku Sugiura1,Hiroshi Kitagawa1,2 |
| 14:50-15:00 | Break | |
| 15:00-15:36 | 1D16 | [Invited Talk]Novel photo-excited state in spin crossover cobaltites (Tokyo Institute of technology)*Yoichi Okimoto |
| 15:36-15:54 | 1D18 | Femtosecond transient microspectroscopic study on perylene single nanocrystal (Graduate School of Science and Engineering, Ehime University)*Yukihide Ishibashi,Tsuyoshi Asahi |
| 15:54-16:12 | 1D19 | Spin dynamics study for covalent organic framework (Center for Instr. Analysis, Niigata Univ.1,Institute for Molecular Science2)*Ko Furukawa1,Toshikazu Nakamura2,Long Chen2,Donglin Jiang2 |
| 16:12-16:30 | 1D20 | A study of electronic structures of mononuclear rhenium(IV) and binuclear rhenium(III,IV) complexes in mixed-valence states by single-crystal ESR spectroscopy: Synchronized proton-electron transfer systems. (Graduate School of Science, Osaka City Univ.1,Graduate School of Science, Tokyo Univ. of Science2)*Tomoki Nakagawa1,Takeshi Yamane1,Kazunobu Sato1,Kenji Sugisaki1,Yuki Kanzaki1,Kazuo Toyota1,Daisuke Shiomi1,Makoto Yoshizawa2,Makoto Tadokoro2,Takeji Takui1 |
| 13:20-13:56 | 1E11 | [Invited Talk]Computational molecular science of liquid interfaces (Graduate School of Science, Tohoku University)*Akihiro Morita |
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| 13:56-14:14 | 1E13 | Development of exchange repulsive potential on the basis of ab initio approach (WPI-ITbM, Nagoya Univ.1,Graduate School of Science, Nagoya Univ.2)*Daisuke Yokogawa1,2 |
| 14:14-14:32 | 1E14 | Efficient calculation of vibrational difference spectra in solution (Graduate School of Science, Tohoku University1,ESICB, Kyoto University2)*Tatsuya Joutsuka1,Akihiro Morita1,2 |
| 14:32-14:50 | 1E15 | Origin of attraction in electron-donor-acceptor complex: Analysis of intermolecular interactions of benzene-p-benzoquinone cluster (AIST)*Seiji Tsuzuki,Taizo Ono |
| 14:50-15:00 | Break | |
| 15:00-15:18 | 1E16 | Chemical reactions in condensed phase in a dynamical and statistical mixed representation in terms of entropy functional (Graduate School of Arts and Sciences, University of Tokyo)*Kazuo Takatsuka,Kentro Matsumoto |
| 15:18-15:36 | 1E17 | Free energy analysis on the self-assembly of molecular nanocube in solution (Department of Chemistry, Graduate School of Science, Kyoto University)*Takeshi Yamamoto |
| 15:36-15:54 | 1E18 | Theoretical analysis of substituent and solvent effects on gear-shaped amphiphile molecule and its nanocube (Graduate School of Nanobioscience, Yokohama City Univ.1,Graduate School of Arts and Sciences, The Univ. of Tokyo2,Foundation for Computational Science, FOCUS3)*Takako Mashiko1,Shuichi Hiraoka2,Umpei Nagashima3,Masanori Tachikawa1 |
| 15:54-16:12 | 1E19 | High-pressure effects on the electronic structure of molecular systems (Institute for Molecular Science1,Research Center for Computational Science2,Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University3,University of Parma4)*Ryoichi Fukuda1,2,3,Masahiro Ehara2,1,3,Roberto Cammi4 |
| 16:12-16:30 | 1E20 | Theoretical analysis of CO2 fixation reaction by quaternary ammonium hydroxide catalyst (Catalysis Research Center, Hokkaido Univ.1,Graduate School of Natural science and Technology, Okayama Univ.2)*Masaki Ohbo1,Akira Nakayama1,Jun-ya Hasegawa1,Tadashi Ema2 |