The number before P in the Presentation Number indicates
whether the poster presentation is given on the 1st, 2nd, 3rd, or 4th day of the meeting.
| Poster Session Hall 1 | |||
| [Gas phase] | |||
| 16:40-18:10 | 2P001 |
Development process of hydration structure of benzimidazole and its influence on excited state dynamics *Yuji Yamada，Hiroko Fuji，Takaaki Hashimura，Yoshinori Nibu |
|
| 16:40-18:10 | 2P002 |
Fluorescence spectra of jet-cooled trifluoromethoxybenzene and CF3 internal rotation *Tasuku Isozaki，Naoya Osuna，Tadashi Suzuki |
|
| 16:40-18:10 | 2P003 |
Fourier-transform absorption spectroscopy using visible and near infrared diode lasers as light sources *Takuhiro Moriyama，Kensuke Harada |
|
| 16:40-18:10 | 2P004 |
Far-infrared stimulated emission from the high Rydberg states of NO and analysis of the poralization degree *Kyoko Abe，Hiroki Furukawa，Mitsunori Araki，Koichi Tsukiyama |
|
| 16:40-18:10 | 2P005 |
IRMPA of 2,3-dihydrofuran, cyclopropane carboxaldehyde and crotonaldehyde using infrared free electron laser *Mitsutoshi Matsubara，Takayuki Imai，Hiroki Furukawa，Fumiyasu Osada，Koichi Tsukiyama |
|
| 16:40-18:10 | 2P006 |
Formation of vibrationally excited HCO radical from the C2H3 + O2 reaction *Akira Matsugi，Akira Miyoshi |
|
| 16:40-18:10 | 2P007 |
A variety of characteristic behavior of resonant KLL Auger decays following Si K-shell photoexcitation of SiCl4 *Isao H. Suzuki，Yutarou Kono，Kentarou Sakai，Miku Kimura，Kiyoshi Ueda，Yusuke Tamenori，Osamu Takahashi，Shin-ichi Nagaoka |
|
| 16:40-18:10 | 2P008 |
Pressure broadening coefficient measurements of HO2 radical in mid-infrared absorption spectrum *Maya Minamida，Yosuke Sakamoto，Kenichi Tonokura，Koichi Tsukiyama |
|
| 16:40-18:10 | 2P009 |
Infrared spectroscopy of the magic number cluster ((CH3)3N)3-H+-(H2O)1 Ryunosuke Shishido，Jer-Lai Kuo，*Asuka Fujii |
|
| 16:40-18:10 | 2P010 |
Infrared spectroscopy of cations of diethylether and diethylsulfide: Effect of homogenous element substituion on *Tomoya Endo，Yoshiyuki Matsuda，Kaito Takahashi，Naohiko Mikami，Asuka Hujii |
|
| 16:40-18:10 | 2P011 |
Photophysices of all-trans-dodecapentaene vapor *Wenwen Luo，Takao Itoh |
|
| 16:40-18:10 | 2P012 |
Microwave spectroscopy of coinage metal monoacetylides (AgCCH, AuCCH) *Hirofumi Kubota，Toshiaki Okabayashi，Mitsunori Araki，Nobuhiko Kuze |
|
| 16:40-18:10 | 2P013 |
Internal conversion and intersystem crossing yields of dioxin vapors *Takao Itoh，Ryuso Hashimoto |
|
| 16:40-18:10 | 2P014 |
Hydration and ammonia-solvation of the gas-phase V+ ion *Kazuhiko Ohashi，Nobuhiro Koga，Jun Sasaki，Ken Judai，Nobuyuki Nishi，Hiroshi Sekiya |
|
| 16:40-18:10 | 2P015 |
High Resolution Spectroscopy of Iodine Molecule with an Optical Frequency Comb and a Narrow Band Dye Laser *Akiko Nishiyama，Daiki Ishikawa，Masatoshi Misono |
|
| 16:40-18:10 | 2P016 |
Near-ultraviolet laser spectroscopy of the Ã-X˜ transition of the CH3CCS radical *Takahiro Sugiyama，Masakazu Nakajima，Yasuki Endo |
|
| 16:40-18:10 | 2P017 |
Infrared spectroscopy of tyrosine-(H2O)1 cluster by laser desorption supersonic jet technique *Hikari Oba，Yoko Shimozono，Shun-ichi Ishiuchi，Carcabal Pierre，Masaaki Fujii |
|
| 16:40-18:10 | 2P018 |
Kinetics of the reaction of CoO radical with simple hydrocarbons *Nami Yamakita，Mayuko Kamata，Hanako Takahashi，Takashi Imajo |
|
| 16:40-18:10 | 2P019 |
Structural determination of benzyl methyl ether monomer and solvated clusters *Hiroko Sasaki，Mai Kano，Yuji Yamada，Yoshinori Nibu |
|
| Return to page beginning | |||
| [Biomolecules] | |||
| 16:40-18:10 | 2P020 |
An objective with a high numerical aperture for single-molecule spectroscopy at a few kelvins *Hironori Inagawa，Minako Maruo，Satoru Fujiyoshi，Michio Matsushita |
|
| Return to page beginning | |||
| [Liquid phase] | |||
| 16:40-18:10 | 2P021 |
Experimental and theoretical circular dichroism study of chiral phosphinate *Masahito Tanaka，Li-Biao Han，Toru Asahi |
|
| 16:40-18:10 | 2P022 |
Picosecond time-resolved near-infrared Raman spectroscopic studies on the photoexcited states of 9,9’-bianthryl *Yurie Saitou，Akira Sakamoto |
|
| 16:40-18:10 | 2P023 |
Crystal structure and intramolecular proton transfer reaction of 3-hydroxyflavone derivatives *Kazuyuki Hino，Yusuke Sasaki，Hirofumi Nakano，Kiyohiko Nakajima，Hiroshi Sekiya |
|
| 16:40-18:10 | 2P024 |
Magnetic field effect on triplet fusion reaction of 9,10-Diphenylanthracene *Kana Yokoyama，Yusuke Wakikawa，Jun-ichi Fujimori，Fuyuki Ito，Tadaaki Ikoma |
|
| 16:40-18:10 | 2P025 |
Enhancement of laser plasma X-ray source and evaluation of measurement accuracy in time-resolved X-ray scattering measurement of solution *Hikaru Sotome，Yosuke Azuma，Shinji Kajimoto，Hiroshi Fukumura |
|
| 16:40-18:10 | 2P026 |
Light induced charge transfer dynamics of phenyleneethynylene derivatives in ionic liquid ~ The effects of CT state energy level. *Masayasu Muramatsu，Tetsuro Katayama，Syoji Ito，Yutaka Nagasawa，Hiroshi Miyasaka，Daisuke Matsuo，Yoshinori Suzuma，Akihiro Orita，Junzo Otera |
|
| 16:40-18:10 | 2P027 |
Electrophotoluminescence spectra of pyrene solution *Hung-Chu Chiang，Nobuhiro Ohta |
|
| Return to page beginning | |||
| [Solid phase] | |||
| 16:40-18:10 | 2P028 |
Observation of charge ordered state in pressure induced superconductorβ″-(ET)2(ReO4) *Koji Onishi，Takashi Yamamoto，Yasuhiro Nakazawa |
|
| 16:40-18:10 | 2P029 |
Methodology for applying small compression to the molecular crystals *Akari Watanabe，Takashi Yamamoto，Satoshi Yamashita，Yasuhiro Nakazawa |
|
| 16:40-18:10 | 2P030 |
Self-Assemblies of Nitridocromium(V) Complexes with Schiff Base Ligand Carrying Hydroxy Naphthaldehyde and their Intermolecular Magnetic Interactions *Masashi Yamada |
|
| 16:40-18:10 | 2P031 |
The study of sub-terahertz zero-field ferromagnetic resonance at low temperature region in epsilon-iron oxide *Asuka Namai，Marie Yoshikiyo，Makoto Nakajima，Tohru Suemoto，Shin-ichi Ohkoshi |
|
| 16:40-18:10 | 2P032 |
A Theoretical Study on the Magnetic Interaction via Alkali Metal Ions *Goro Maruta，Takumi Nakanishi，Sadamu Takeda |
|
| 16:40-18:10 | 2P033 |
The application of the molecular orbital method to the Infrared and Raman Spectra of Pd(dmit)2. *Akira Ito，Keiji Kinosita，Syohei Yoshimura，Takashi Kawakami，Shusuke Yamanaka，Yasutaka Kitagawa，Mitsutaka Okumura |
|
| 16:40-18:10 | 2P034 |
Preparation, Crystal Structures, and Magnetic Properties of Viologen-Metal Dithiolene Salts *Yusuke Funasako，Tomoyuki Mochida，Chihiro Kachi |
|
| 16:40-18:10 | 2P035 |
Photoinduced charge transfer in cupper(II) octacyanomolybdate(IV) solid around room temperature *Yoshikazu Umeta，Hiroko Tokoro，Kosuke Nakagawa，Shin-ichi Ohkoshi |
|
| 16:40-18:10 | 2P036 |
Thermodynamical analysis of the phase transition based on charge-transfer-induced spin transition on a Co-W bimetallic assembly *Yasuto Miyamoto，Noriaki Ozaki，Hiroko Tokoro，Shin-ichi Ohkoshi |
|
| 16:40-18:10 | 2P037 |
Crystal structure and Physical properties of (adamantylammonium)2([18]crown-6)2[Pd(dmit)2] *Kazuya Kubo，Yin-Nan Yan，Shin-ichiro Noro，Tomoyuki Akutagawa，Takayoshi Nakamura |
|
| 16:40-18:10 | 2P038 |
Insulator transition of β"-(DODHT)2AsF6 with charge ordering *Yoichi Shinzaki，Hiroyuki Nishikawa，Ryusuke Kondo，Akiko Nakao，Reiji Kumai，Yoshio Nogami |
|
| 16:40-18:10 | 2P039 |
Crystal structure and physical properties of (m-bromoanilinium+)(dibenzo[18]crown-6)[Ni(dmit)2]- *Shota Nakagawa，Kazuya Kubo，Ken-ichi Sakai，Shin-ichiro Noro，Tomoyuki Akutagawa，Takayoshi Nakamura |
|
| 16:40-18:10 | 2P040 |
Molecular Motions in Organic Solids with Weak Charge-Transfer Interaction *Shunsuke Ashidate，Yukihiro Takahashi，Hiroyuki Hasegawa，Jun Harada，Tamotsu Inabe |
|
| 16:40-18:10 | 2P041 |
Solid-state NMR studies of magnetic interaction mediated by alkali metal ion *Takumi Nakanishi，Goro Maruta，Sadamu Takeda |
|
| 16:40-18:10 | 2P042 |
Chromic Behavior of Nafion Films Containing Metal-chelate Complexes *Yusuke Funasako，Tomoyuki Mochida |
|
| 16:40-18:10 | 2P043 |
Vibrational spectroscopy of 4-amino-6-oxopyrimidine crystals having intermolecular double hydrogen bond chains *Kazuko Oyama，Norifumi Yamamoto，Kenta Goto，teruo Shinmyozu，Hiroshi Sekiya |
|
| 16:40-18:10 | 2P044 |
Dielectric properties of k-(BEDT-TTF)2Cu2(CN)3 partly substituted with BMDT-TTF *kouji hamada，naoki yoneyama，satosi iguchi，takahiko sasaki |
|
| 16:40-18:10 | 2P045 |
Construction and properties of new conductors based on axially subsitituted iron-phthalocyanine *Yusuke Takita，Yukihiro Takahashi，Hiroyuki Hasegawa，jun Harada，Tamotus Inabe |
|
| 16:40-18:10 | 2P046 |
Electronic structure and property of Organic-Inorganic cubic perovskite: CH3NH3Pb1-xSnxI3 (0≦x≦1) *Tsuyoshi Osaki，Yu Kudo，Giancarlo Lorena，Hiroyuki Hasegawa，Yukihiro Takahashi，Jun Harada，Tamotsu Inabe |
|
| 16:40-18:10 | 2P047 |
Strucure and electrical properties of iron phthalocyanines with asymmetric axial ligands *Yumi Hamada，Hiroko Oishi，Masaki Matsuda，Noriaki Hanasaki，Yoshio Nogami |
|
| 16:40-18:10 | 2P048 |
Magnetic properties of Prussian Blue Analogues induced by solid-state electrochemistry *Kantaro Morita，Tetsuya Yamada，Hirofumi Yoshikawa，Kunio Awaga |
|
| 16:40-18:10 | 2P049 |
Electrical conductivity of molecular conductors TPP[M(Pc)(CN)2]2 (M = Fe, Co) under high pressure. *nobuaki kinoshita，Masaki Matsuda，Kazuyuki Matsubayashi，Yoshiya Uwatoko |
|
| 16:40-18:10 | 2P050 |
Analysis of Dynamics of Imidazole in Proton Conductive PVPA-Imidazole Aggregate *Ayano Iwasaki，Tsuyoshi Umiyama，Ryutaro Ohashi，Tomonori Ida，Motohiro Mizuno |
|
| Return to page beginning | |||
| [Surface] | |||
| 16:40-18:10 | 2P051 |
Development of UV-excited ultrafast time-resolved HD-VSFG spectroscopy and the observation of air/liquid interfacial dynamics *Korenobu Matsuzaki，Satoshi Nihonyanagi，Shoichi Yamaguchi，Takashi Nagata，Tahei Tahara |
|
| 16:40-18:10 | 2P052 |
Structure of Water at Nonionic Lipid/Water Interfaces Revealed by Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy *Aniruddha Adhikari，Satoshi Nihonyanagi，Shoichi Yamaguchi，Tahei Tahara |
|
| 16:40-18:10 | 2P053 |
IV-SFG studies on ionic liquid [Cnmim][OTf] + H2O mixtures *Yasunari Sakai，Behera Kamarakanta，Takashi Iwahashi，Tatsuya Ishiyama，Akihiro Morita，Doseok Kim，Yukio Ouchi |
|
| 16:40-18:10 | 2P054 |
Study of Electronic state for surface of polyethylene *Yusuke Morisawa，Erika Tanimura，Harumi Sato，Naomi Kariyama，Noboru Higashi，Yukihiro Ozaki |
|
| 16:40-18:10 | 2P055 |
Two-photon photoemission spectroscopy for self-assembled monolayer of oligothiophene derivatives *Yoshiaki Kiriyama，Yoshinari Murakami，Riyo Saitoh，Yutaka Ie，Yoshio Aso，Takahiro Ueba，Takashi Yamada，Hiroyuki Kato，Toshiaki Munakata |
|
| 16:40-18:10 | 2P056 |
Photoelectron spectroscopy of M-tetraazanaphthacene (M=Ag,Tl)complexes *Mizue Nishina，Hazime Yagi，Takahiro Hinoishi，Takahumi Miyazaki，Makoto Tadokoro，Akio Yamagata，Yu Kawabe，Syozyun Hino |
|
| 16:40-18:10 | 2P057 |
Theoretical studies on adsorption of oxygen molecule onto aromatic hydrocarbons with racical character *Keiji Kinoshita，Akira Ito，Shohei Yoshimura，Takashi Kawakami，Yasutaka Kitagawa，Shusuke Yamanaka，Mitsutaka Okumura |
|
| 16:40-18:10 | 2P058 |
The Spatially-spread and Atomic-like Unoccupied Molecular Orbital of Rubrene *Takanori Morikawa，Takahilo Ueba，Rie Terawaki，Yasutaka Kitagawa，Mitsutaka Okumura，Hiroyuki Kato，Takashi Yamada，Toshiaki Munakata |
|
| 16:40-18:10 | 2P059 |
High resolution observation at the potential-applied ionic liquid/rubrene single crystal interface *Hisaya Hara，Tomohiro Harada，Akihito Imanishi，Yasuyuki Yokota，Takafumi Uemura，Junichi Takeya，Kenichi Fukui |
|
| 16:40-18:10 | 2P060 |
Local Valence Electronic States of Si(110)-16×2 Clean Surface Studied Using Auger Photoelectron Coincidence Spectroscopy *Takuhiro Kakiuchi，Yuki Sato，Saki Hanaoka，Shin-ichi Nagaoka，Kazuhiko Mase |
|
| 16:40-18:10 | 2P061 |
Synthesis and gas adsorption properties of 4,4'-bipyridine-bridged metal complexes with methanesulfonate anions *Hidenori Ishibashi，Shin-ichiro Noro，Kazuya Kubo，Takayoshi Nakamura |
|
| 16:40-18:10 | 2P062 |
Synthesis and properties of two-dimensional layered copper hydroxides with fluorinated anions *Yuichi Muto，Shin-ichiro Noro，Kazuya Kubo，Takayoshi Nakamura |
|
| 16:40-18:10 | 2P063 |
Saturated and unsaturated hydrocarbon adsorption properties of porous two-dimensional metal complexes with paddle-wheel type dinuclear Cu(II) units *Kei Hasegawa，Shin-ichiro Noro，Kazuya Kubo，Takayoshi Nakamura |
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| Return to page beginning | |||
| [Cluster/corpuscle/nano-structure] | |||
| 16:40-18:10 | 2P064 |
Charge distribution of gas-phase protein ions produced by IR-laser ablation of droplet beam *Nobuteru Sasaki，Kyohei Nabeta，Jun-ya Kohno |
|
| 16:40-18:10 | 2P065 |
Stable isomers of TFA-(H2O)4 complexes *Fumiyuki Ito |
|
| 16:40-18:10 | 2P066 |
Preparation of nano-hybrid materials between conductive silica and polyoxomatalates and their applications to electrode materials *Hirofumi Yoshikawa，Kunio Awaga，Mitsuhiro Kamimura，Kazutaka Nobuhara |
|
| 16:40-18:10 | 2P067 |
The structure and properties of novel PdRu solid-solution nanoparticles *Kohei Kusada，Hirokazu Kobayashi，Yoshiki Kubota，Shoichi Toh，Syo Matsumura，Naoya Sumi，Katsutoshi Sato，Katsutoshi Nagaoka，Hiroshi Kitagawa |
|
| 16:40-18:10 | 2P068 |
Near-field optical microscopic study on enhanced mechanism of plasmonic optical fields *Hitoshi Morimoto，Kohei Imura |
|
| 16:40-18:10 | 2P069 |
Femtsecond Near-IR transient absorption spectroscopy of epitaxial graphene on 4H-SiC *Hidefumi Shigemasa，Yasunori Kutsuma，Noboru Ohtani，Tadaaki Kaneko，Naoto Tamai |
|
| 16:40-18:10 | 2P070 |
Catalytic activity and reaction mechanism of charge-polarized subnano-space *Hisato Yasumatsu，Nobuyuki Fukui |
|
| 16:40-18:10 | 2P071 |
Preparation of graphene/polyoxometalate nanohybrid materials and their solid-state electrochemistry *Keita Kume，Hirofumi Yoshikawa，Kunio Awaga |
|
| 16:40-18:10 | 2P072 |
Observation of molecular-assemble process of perylene in polymer matrix by fluorescence microscope *Fuyuki Ito，Yoshiko Kogasaka，Kazuki Yamamoto |
|
| 16:40-18:10 | 2P073 |
Morphology and electronic structure of size selected Pt cluster on Si substrate by heating process *Nobuyuki Fukui，Hisato Yasumatsu |
|
| 16:40-18:10 | 2P074 |
Optical trapping of DNA based on localized plasmon of gold nano structures; A fluorescence study *Junki Saito，Tatsuya Syoji，Noboru Kitamura，Mai Takase，Kei Murakoshi，Yasuyuki Tsuboi |
|
| 16:40-18:10 | 2P075 |
Syntheses and analyses of Pt nanoparticles used for the cathode of dye-sensitized solar cells *Mutsumi Kawano，Lei Anjeli Morenos，Bernard Tongol，Motoko Akita，Koichiro Mitsuke |
|
| 16:40-18:10 | 2P076 |
Plasmon-based optical trapping of polymer microgels on Au nanostructures *Mariko Toshimitsu，Tatsuya Shoji，Yuriko Matsumura，Hajime Ishihara，Fumika Nagasawa，Kei Murakoshi，Noboru Kitamura，Yasuyuki Tsuboi |
|
| Return to page beginning | |||
| Poster Session Hall 2 | |||
| [Cluster/corpuscle/nano-structure] | |||
| 16:40-18:10 | 2P077 |
Epitaxial liquid synthesis of Au@Pd Au nano rods core Pd shell nano crystals *Koji Ikedo，Keiko Uto，Yasuro Nidome，Masaharu Tuji |
|
| 16:40-18:10 | 2P078 |
Rapid shape transformation from spherical, rod-like, and bipymidal Ag nanoparticles to prisms and clarification of its mechanism *atsuhiko yajima，Satoshi Gomi，Yoshinori Maeda，Takeshi Tsuji，Hirofumi Kawazumi，Masaharu Tsuji |
|
| 16:40-18:10 | 2P079 |
Synthesis of Ag-Pd bimetallic nanoparticles in liquid phase and their growth mechanism *Koichi Takemura，Keiko Uto，Chihiro Shiraishi，Yuki Yoshida，Takeshi Daio，Masaharu Tsuji |
|
| 16:40-18:10 | 2P080 |
Preparation and properties of CdSe quantum dots direct-coated with TiO2 for solar cell applications *Takayoshi Hirai，C.L. Li，Masanori Ando，Norio Murase，Naoto Tamai |
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| Return to page beginning | |||
| [Biomolecules] | |||
| 16:40-18:10 | 2P081 |
Responses of a green alga to nitrogen deprivation analyzed by microscopic fluorescence spectra and fluorescence lifetime imaging *Yumi Tsuda，Masahide Terazima，Shigeichi Kumazaki |
|
| 16:40-18:10 | 2P082 |
Folding and aggregation properties of natural and artificial proteins *Hiroshi Imamura，Takeshi Morita，Yasuhiro Isogai，Minoru Kato，Keiko Nishikawa |
|
| 16:40-18:10 | 2P083 |
Theoretical Study for pH Dependence of Absorption and Fluorescence Spectra of Firefly Luciferin: Analysis using Concentration Ratio of Conjugate Acids and Bases Estimated with DFT Calculations *Miyabi Hiyama，Hidefumi Akiyama，Kenta Yamada，Nobuaki Koga |
|
| 16:40-18:10 | 2P084 |
A Novel Method to simulate protein conformational change upon ligand binding *Koichi Tamura，Shigehiko Hayashi |
|
| 16:40-18:10 | 2P085 |
Specific interactions between transcriptional regulatory protein, lactose repressor dimer and DNA: molecular simulations combined with MD and ab initio FMO methods *Tatsuya Ohyama，Yuki Matsushita，Noriyuki Kurita |
|
| 16:40-18:10 | 2P086 |
Ab initio molecular simulations on the specific interactions between amyloid-β protein and its inhibitors *Akisumi Okamoto，Kazuya Nomura，Atsushi Yano，Shin'ichi Higai，Takashi Kondo，Seiji Kamba，Noriyuki Kurita |
|
| 16:40-18:10 | 2P087 |
Hydrogen bond networks in the dissociation process of ADP from Hsp90 *Kazutomo Kawaguchi，Hiroaki Saito，Hidemi Nagao |
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| Return to page beginning | |||
| [Theory/calculation] | |||
| 16:40-18:10 | 2P088 |
Theoretical study on the diradical character dependence of excitation energies and properties of asymmetric open-shell singlet molecules *Masayoshi Nakano |
|
| 16:40-18:10 | 2P089 |
Optimization Simulation of Isotope Selective Laser-Induced Molecular Alignment Kaoru Nakashima，Katsuhiro Nakajima，Yukiyoshi Ohtsuki，*Hirohiko Kono |
|
| 16:40-18:10 | 2P090 |
Optimization of local orbitals in a linear-scaling DFT code CONQUEST *Ayako Nakata，Tsuyoshi Miyazaki，David Bowler |
|
| 16:40-18:10 | 2P091 |
Does an electron move slower than c in a H atom? Dirac(Yes), but Schrodinger (No). *Atsushi Kubo |
|
| 16:40-18:10 | 2P092 |
Electronic structure of endohedral metallofullerene Hf2C2@C84 by density functional calculations *tomona ohta |
|
| 16:40-18:10 | 2P093 |
A Dynamical Boundary of Reaction Associated with a Higher Index saddle *Yutaka Nagahata，Hiroshi Teramoto，Chun-Biu Li，Shinnosuke Kawai，Tamiki Komatsuzaki |
|
| 16:40-18:10 | 2P094 |
Molecular structure and infrared spectra of sulfonic acid dimer *Makoto Yamaguchi，Akihiro Ohira |
|
| 16:40-18:10 | 2P095 |
A Theoretical study of Spin Cross Over (SCO) of Ni(II)-N3S2 Complex in solid state *Shinya Tsukamoto，Shigeyoshi Sakaki |
|
| 16:40-18:10 | 2P096 |
Development of DC-DFTB method aimed at large scale molecular dynamics *Hiroaki Nishizawa，Hiromi Nakai，Irle Stephan |
|
| 16:40-18:10 | 2P097 |
Basis set and functional dependency on magnetic interaction of CuM hetero binuclear complex *Hiroshi Hatake，Natsumi Yasuda，Yasutaka Kitagawa，Shusuke Yamanaka，Takashi Kawakami，Mitsutaka Okumura |
|
| 16:40-18:10 | 2P098 |
A theoretical study on spin states of iron(II)-tris(bipyridine) complex *Satoru Iuchi |
|
| 16:40-18:10 | 2P099 |
Theoretical study of substituent effect on diradical characters and nonlinear optical properties of zethrenes *Shu Minamide，Kyohei Yoneda，Kotaro Fukuda，Kenji Kamada，Koji Ohta，Yoshito Tobe，Masayoshi Nakano |
|
| 16:40-18:10 | 2P100 |
Parallelization of GAMESS for Large-scale FMO calculation *Hiroaki Umeda，Mitsuhisa Sato |
|
| 16:40-18:10 | 2P101 |
Breakdown of Franck-Condon factorization in band strength of the F2Σ+-A2Π transition of AlO *Nobumitsu Honjou |
|
| 16:40-18:10 | 2P102 |
Quantum chemical study of small organic molecules insertion reaction to disilacyclobutens *Yoshihiro Hayashi，Shun Otsu，Ryo Yamada，Takafumi Natsumeda，Mitsuo Ishikawa，Tokio Yamabe，Susumu Kawauchi |
|
| 16:40-18:10 | 2P103 |
Nonlinear optical property calculations by the time-dependent density-functional method *Muneaki Kamiya，Hideo Sekino，Takahito Nakajima |
|
| 16:40-18:10 | 2P104 |
Comparative Theoretical Study of Reactivities of Pd (II), Pd (III), and P(IV) Complexes towards C-C and Si-Si bond reductive elimination reaction *Milind Deshmukh，Shigeyoshi Sakaki |
|
| 16:40-18:10 | 2P105 |
A DFT Study of the Diels-Alder Reaction Mechanism between C60 and acenes *Yuma Kawakami，Atsushi Nogami |
|
| 16:40-18:10 | 2P106 |
An ab initio calculation on Li2MSiO4 (M=Mn, Fe, Co, Ni) as cathode materials of the Lithium ion battery *Kenta Tsubakiyama，Yusuke Kudo，Koichi Yamashita |
|
| 16:40-18:10 | 2P107 |
Structural and Dynamical Properties of ZnCl2 - A Molecular Dynamics Simulation Study *Seiji Yoshimune，Yoshitaka Tanimura |
|
| 16:40-18:10 | 2P108 |
Performance Improvement of parallel FMO program, OpenFMO *Yuichi Inadomi，Jun Maki，Hiroaki Honda，Toshiya Takami，Taizo Kobayashi，Mutsumi Aoyagi，Kazuo Minami |
|
| 16:40-18:10 | 2P109 |
Local structure analysis of In-doped ZnO crystal by EFG tensor calculation *Yuji Kawamura，Ryutaro Ohashi，Tomonori Ida，Motohiro Mizuno |
|
| 16:40-18:10 | 2P110 |
Theoretical studies on electron coupled hydrogen transfer reaction *Ayaka Kuroki，Hiroshi Ushiyama，Koichi Yamashita |
|
| 16:40-18:10 | 2P111 |
Theoretical study on the new environmental effects induced by the thermal motion in the large molecular system *Saori Asai，Atsuhito Kanda，Toshiaki Matsubara |
|
| 16:40-18:10 | 2P112 |
Tunneling effects in solution-phase hydrogen transfer reaction: Antioxidant reaction of ubiquinol and vitamin E *Taichi Inagaki，Takeshi Yamamoto |
|
| 16:40-18:10 | 2P113 |
Theoretical study on the new environmental effects induced by the thermal motion in the chemical reaction *Kohei Ogawa，Takuya Teshima，Toshiaki Matsubara |
|
| 16:40-18:10 | 2P114 |
Quantum Chemical Calculations of Excited States Related to Singlet Fission of Polycyclic Aromatic Hydrocarbons *Soichi Ito，Takuya Minami，Masayoshi Nakano |
|
| 16:40-18:10 | 2P115 |
Theoretical study on the nonlinear optical properties of open-shell singlet condensed-ring conjugated hydrocarbons with fluorene structures *Kotaro Fukuda，Kyohei Yoneda，Shu Minamide，Ryohei Kishi，Masayoshi Nakano |
|
| 16:40-18:10 | 2P116 |
RISM-SCF study of solvent effect on excitation spectra and solvation structure of merocyanines *Yuichi Tanaka，Norio Yoshida，Haruyuki Nakano |
|
| 16:40-18:10 | 2P117 |
Theoretical study on the electronic structure and chemical bond of the CeX (X = H, F) molecules *Yusuke Kondo，Tetsuya Taketsugu，Takeshi Noro |
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| 16:40-18:10 | 2P118 |
Excited states studies of silabenzenes by multireference pertubation theory and modern valence bond method *Yukihiro Ninomiya，Masayuki Nakagaki，Yukio Kawashima，Haruyuki Nakano |
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| 16:40-18:10 | 2P119 |
Decomposition of water by Ru catalyst: a theoretical study *Hayato Yokoi，Hirofumi Sato |
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| 16:40-18:10 | 2P120 |
Theoretical Study on Magnetism of Co(II) Complex with Organic-Radical ligands *Junki Noguchi，Hirofumi Sato，Yoshihide Nakao |
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| 16:40-18:10 | 2P121 |
Theoretical study of the ligand effects on the diradical character and the second hyperpolarizability of dinuclear transition metal complexes *Yudai Inoue，Taishi Yamada，Yasuteru Shigeta，Masayoshi Nakano |
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| 16:40-18:10 | 2P122 |
Theoretical study of excited states valid for large systems *Kosuke Usui，Daisuke Yokogawa，Stephan Irle |
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| 16:40-18:10 | 2P123 |
An examination of exchange-correlation functionals in solid state calculations *arunabhiram chutia，Takao Tsuneda |
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| 16:40-18:10 | 2P124 |
Theoretical analysis of positron Doppler broadening measurement of polymers *Katsuhiko Koyanagi，Yukiumi Kita，Masanori Tachikawa |
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| 16:40-18:10 | 2P125 |
Quantum Monte Carlo study of positronic polar molecule *Yurika Yamada，Yukiumi Kita，Masanori Tachikawa |
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| 16:40-18:10 | 2P126 |
Theoretical study of colorimetric fluoride sensing properties for hypervalent main group-transition metal complexes *Wei Guan，Shinichi Yamabe，Shigeyoshi Sakaki |
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| 16:40-18:10 | 2P127 |
Quantum chemical calculations of oxygen reduction reaction on the carbon nanoribbon doped with nitrogen and boron *Takashi Yamashita，Min Gao，Andrey Lyalin，Tetsuya Taketsugu |
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| 16:40-18:10 | 2P128 |
Hybrid parallelization of divide-and-conquer (DC) quantum chemical calculation method implemented in GAMESS *Masato Kobayashi，Hiromi Nakai |
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| 16:40-18:10 | 2P129 |
Theoretical study on the aromaticity of transition metal complex *Junya Kataoka，Shogo Sakai |
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| 16:40-18:10 | 2P130 |
Theoretical study on the intramolecular [2+2+2] reaction mechanism *Junichi Hiei，Shogo Sakai |
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| 16:40-18:10 | 2P131 |
A Density Functional Study on Hydration Structures of Metal Ions Including Second Hydration Shell in the KcsA Potassium Channel *Mizuki Itoh，Masaki Mitani，Yasunori Yoshioka |
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| 16:40-18:10 | 2P132 |
Simulation studies of proton transfer between imidazoles by quantum wave packet dynamics *Yuta Hori，Tomonori Ida，Motohiro Mizuno |
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