For each presentation, the alphabet in the Presentation Number indicates the location,
the first digit the day of the presentation (the 1st, 2nd, 3rd, or 4th day of the meeting),
and the last two the order within each day for that venue.
| Wednesday Morning Sessions(September 19, starting at 9:00) | |||
| Venue A | |||
| [Gas phase] | |||
| 09:00-09:18 | 2A01 |
Theoretical electronic spectra of S2O *Ikuo Tokue，Shinkoh Nanbu |
|
| 09:18-09:36 | 2A02 |
Substituent effects on electrocyclic reactions: Ab initio molecular dynamics and theoretical calculations of photodetachment spectra *Kosuke Nakamura，Manabu Kanno，Hirohiko Kono |
|
| 09:36-09:54 | 2A03 |
Group theoretical consideration on the tunnelling splitting observed in rotational spectra: case of HNO3 *Koichi Yamada |
|
| 10:03-10:21 | 2A04 |
Study on vibrational energy relaxation of hydrated cluster of phenol by time-resolved IR-UV pump-probe spectroscopy *Yasunori Miyazaki，Yoshiya Inokuchi，Takayuki Ebata |
|
| 10:21-10:39 | 2A05 |
Electronic and infrared spectra of tyrosine by laser desorption supersonic jet technique―characteristic behavior of the most stable conformer *Yoko Shimozono，Kohei Yamada，Koichi Tsukiyama，Shun-ichi Ishiuchi，Masaaki Fujii |
|
| 10:39-10:57 | 2A06 |
Resonant Two-photon Ionization of Laser-desorbed Adenine Compounds: Why the Monomer of Adenosine is Not Observed? *Shu-hei Urashima，Masashi Ohba，Hiroyuki Saigusa |
|
| 11:06-11:24 | 2A07 |
Verification of the three-body dissociation channel of Nitromethane in UV photodissociation reaction *Yasunori Kohge，Shu Masumoto，Katsuyoshi Yamasaki，Hiroshi Kohguchi |
|
| 11:24-11:42 | 2A08 |
Reaction dynamics studied by time-sliced velocity map imaging technique:Al+O2→AlO+O. *Kenji Honma，Kazuki Miyashita，Yoshiteru Matsumoto |
|
| 11:42-12:00 | 2A09 |
Multi-dimensional Steric Effect in the Aligned N2(A3Sigmau+)+Oriented NO(X2Pai, Omega=1/2) Reaction *Hiroshi Ohoyama，Satoshi Maruyama |
|
| Return to page beginning | |||
| Venue B | |||
| [Biomolecules] | |||
| 09:00-09:18 | 2B01 |
Geometry optimization and interaction analysis for solvated large molecules *Dmitri Fedorov |
|
| 09:18-09:36 | 2B02 |
Energy transfer inside lipid bilayer of single-component phosphatidylcholine liposome observed with picosecond time-resolved Raman spectroscopy *Yuki Nojima，Tomohisa Takaya，Koichi Iwata |
|
| 09:36-09:54 | 2B03 |
Structure and lateral pressure profile of lipid bilayer containing gramicidin A *Hiroaki Saito，Kazutomo Kawaguchi，Hidemi Nagao |
|
| 10:03-10:21 | 2B04 |
Conformational samplings of Abeta(29-42) by the Coulomb replica-exchange method *Satoru Itoh，Hisashi Okumura |
|
| 10:21-10:39 | 2B05 |
Computational analysis of behavior of oxygen ligand molecules adjacent and inside human hemoglobin *Masayoshi Takayanagi，Ikuo Kurisaki，Masataka Nagaoka |
|
| 10:39-10:57 | 2B06 |
Theoretical study on heme metabolism by heme oxygenase *Takashi Kamachi，Tomonori Nishimi，Yoshizawa Kazunari |
|
| 11:06-11:24 | 2B07 |
"Low-barrier hydrogen bond" in protein active sites *Hiroshi Ishikita，Keisuke Saito |
|
| 11:24-12:00 | 2B08 |
[Invited Talk]Imaging of single molecular function of proteins in mice *Hideo Higuchi |
|
| Return to page beginning | |||
| Venue C | |||
| [Solid phase] | |||
| 09:00-09:18 | 2C01 |
SHG Microscopy Observation of Ferroelectric Charge-Ordering in TMTTF2X in Liquid Argon Coolant at Ambient Pressure *Kaoru Yamamoto，Atsushi Kawamoto，Noriaki Matsunaga，Kazushige Nomura，Kyuya Yakushi |
|
| 09:18-09:36 | 2C02 |
Synthesis, Structures, and Physical Properties of Novel Organic Conductors based on Selenium Analogues of Catechol-fused TTF Derivatives *Akira Ueda，Hiromichi Kamo，Takayuki Isono，Kazuyuki Takahashi，Akiko Nakao，Reiji Kumai，Kensuke Kobayashi，Hironori Nakao，Yohichi Murakami，Mikio Uruichi，Kaoru Yamamoto，Hatsumi Mori |
|
| 09:36-09:54 | 2C03 |
Structures and Properties of anionic donors N,N'-Disulfo-2,5-X,Y-1,4-phenylenediamine, acceptors N,N'-Disulfo-2,5-X,Y-1,4-benzoquinonediimine (X,Y = CH3, CH3; CH3, Cl; Cl, Cl) and their charge-transfer salts *Yuki Takigawa，Hiroki Akutsu，Jun-ichi Yamada，Shin'ichi nakatsuji |
|
| 10:03-10:21 | 2C04 |
Time-Resolved ESR Study for Photoconductive Mechanism of Photoconductive TTF-derivatives *Ko Furukawa，Keijiro Tsujimoto，Hideki Fujiwara，Seiya Takahashi，Toshikazu Nakamura |
|
| 10:21-10:39 | 2C05 |
Magnetic Resonance Investigation for TTFCOONH4 and Its Analogue *Toshikazu Nakamura，Ko Furukawa，Takeshi Terauchi，Yuka Kobayashi，Yohji Misaki |
|
| 10:39-10:57 | 2C06 |
Dynamical analysis of hydration water in lysozyme crystal using 2H/1H, 2H/2H correlation NMR *Ryutaro Ohashi，Hiroaki Takahata，Ryo Kaneko，Tomonori Ida，Motohiro Mizuno |
|
| 11:06-11:24 | 2C07 |
Solid State Molecular Dynamics of Azaadamantane-N-oxyl *Norihisa Hoshino，Takashi Takeda，Tomoyuki Akutagawa |
|
| 11:24-11:42 | 2C08 |
NMR studies of Poly (N -isopropylacrylamide) adsorbed on porous materials *Atsushi Suzue，Hisashi Honda |
|
| 11:42-12:00 | 2C09 |
Spin diffusion and Ion movement in Hyperpolarized alkali salts *Kiyoshi Ishikawa |
|
| Return to page beginning | |||
| Venue D | |||
| [Liquid phase] | |||
| 09:00-09:18 | 2D01 |
Vibrational Dynamics of the CO Stretching of 9-Fluorenone Studied by Visible-pump and IR-probe Spectroscopy *Yuki Fukui，Minako Kondo，Kaoru Ohta，Keisuke Tominaga |
|
| 09:18-09:36 | 2D02 |
Frequency fluctuation in aqueous solution with amino acid derivatives probed by two-dimensional infrared spectroscopy *Masaki Okuda，Kaoru Ohta，Keisuke Tominaga |
|
| 09:36-09:54 | 2D03 |
Development of vibrational frequency analysis routine in solution including microscopic solvation: application to neutral-form glycine conformers *Yukichi Kitamura，Norio Takenaka，Yoshiyuki Koyano，Masataka Nagaoka |
|
| 10:03-10:21 | 2D04 |
Ion effects on water structure monitored by Terahertz time-domain spectroscopy *Masato Kondoh，Yasuhiro Ohshima，Masaaki Tsubouchi |
|
| 10:21-10:39 | 2D05 |
Observation of Extremely High Nuclear-Spin Angular Momentum and Quantum Coherence in a High Nuclear-Spin Degenerate System as Studied by Pulsed FT-ESR Spectroscopy *Kazunobu Sato，Akira Ueda，Shuichi Suzuki，Kenta Suzuki，Kozo Fukui，Kazuhiro Nakasuji，Yasushi Morita，Takeji Takui |
|
| 10:39-10:57 | 2D06 |
Theoretical study of hydrolysis of cellobiose to glucose in ionic liquid Yoshifumi Nishimura，*Daisuke Yokogawa，Stephan Irle |
|
| 11:06-11:24 | 2D07 |
Ordered structure and dielectric properties of ionic liquid (Cnmim)BF4( n = 4, 6 ) *Takuya Kuroki，Keisuke Watanabe，Keishi Negita |
|
| 11:24-11:42 | 2D08 |
Charge transfer reaction of symmetric and asymmetric molecules in ionic liquids. *Yutaka Nagasawa，Satoe Morishima，Masayasu Muramatsu，Tetsuro Katayama，Syoji Ito，Hiroshi Miyasaka |
|
| 11:42-12:00 | 2D09 |
Excited State Dynamics of Ionic Liquids Near Solid-Liquid Interface *Takahiro Ogura，Daiki Kawamori，Nobuyuki Akai，Akio Kawai，Kazuhiko Shibuya |
|
| Return to page beginning | |||
| Venue E | |||
| [Theory/calculation] | |||
| 09:00-09:18 | 2E01 |
Molecular calculations with the Slater-type orbital *Kazuhiro Ishida，Rafael Lopez，Jaime Fernandez Rico |
|
| 09:18-09:36 | 2E02 |
Optimal vibrational coordinates for anharmonic potential *Kiyoshi Yagi，So Hirata |
|
| 09:36-09:54 | 2E03 |
Collectivity of plasmonic excitations in sodium clusters and its relation to Raman enhancement *Tomokazu Yasuike，Masashi Noda，Katsuyuki Nobusada，Michitoshi Hayashi |
|
| 10:03-10:21 | 2E04 |
Proposal of QM/MM method for Periodic Molecular Crystal: Consideration of Crystal Effects by SCF point charge *Shinji Aono，Shigeyoshi Sakaki |
|
| 10:21-10:39 | 2E05 |
Cooperative and Competitive Roles of Charge-Transfer Terms in Molecular Cluster Formation *Suehiro Iwata |
|
| 10:39-10:57 | 2E06 |
Computation of the solvation free energies by the molecular simulations with a polarizable force field combined with a theory of solutions *Daiki Suzuoka，Hideaki Takahashi，Tatsuya Ishiyama，Akihiro Morita |
|
| 11:06-11:24 | 2E07 |
solvent effect on excited states of surface complex *ryota jono，Jun-ichi Fujisawa，Hiroshi Segawa，Koichi Yamashita |
|
| 11:24-11:42 | 2E08 |
Transition-Density-Fragment Interaction Combined with Transfer Integral Approach for Excitation-Energy Transfer via Charge-Transfer States *Kazuhiro Fujimoto |
|
| 11:42-12:00 | 2E09 |
Theoretical Investigation of Proton Conductivity in Proton Exchange Membranes for Fuel Cells Raman Singh，*Takao Tsuneda，Kenji Miyatake，Masahiro Watanabe |
|
| Return to page beginning | |||
| Wednesday Afternoon Sessions(September 19, starting at 13:10) | |||
| Venue A | |||
| [Gas phase] | |||
| 13:10-13:28 | 2A10 |
Theoretical study on photoisomerization of diarylethene derivatives *Katsuki Okuno，Yasuteru Shigeta，Ryohei Kishi，Hiroshi Miyasaka，Masayoshi Nakano |
|
| 13:28-13:46 | 2A11 |
Effect of hydrogen-bonding on the trans to cis isomerization of methyl-4-hydroxycinnamate *Daiki Shimada，Yoshiya Inokuchi，Masahiro Ehara，Takayuki Ebata |
|
| 13:46-14:04 | 2A12 |
Various photoreaction channels of the guanine-cytosine base pair *Shohei Yamazaki，Tetsuya Taketsugu |
|
| 14:13-14:31 | 2A13 |
Isomer selective investigation of solvent migration induced by photoionization around peptide linkage in Acetanilide-(methanol) 1:1 cluster *Martin Weiler，Mitsuhiko Miyazaki，Masaaki Fujii |
|
| 14:31-14:49 | 2A14 |
The observation of the photoionization induced water migration of 4-aminobenzonitryl-water 1:1 cluster by the IR dip spectroscopy *Takashi Nakamura，Mitsuhiko Miyazaki，Shun-ichi Ishiuchi，Otto Dopfer，Masaaki Fujii |
|
| 14:49-15:07 | 2A15 |
Laser spectroscopic and theoretical study on the conformation and hydrated structure of estrogens studied in a supersonic free jet *Fumiya Morishima，Yoshiya Inokuchi，Takayuki Ebata |
|
| 15:16-15:34 | 2A16 |
Laser Spectroscopy of the Trans-2-Methylvinoxy Radical *Ryosuke Kawachi，Masakazu Nakajima，Yasuki Endo |
|
| 15:34-15:52 | 2A17 |
SVL dispersed fluorescence spectra of the NO3 B 2E' - X 2A2' transition *Masaru Fukushima，Takashi Ishiwata |
|
| 15:52-16:10 | 2A18 |
FTIR spectroscopy of the NO3 nu2 band Natuko Shimizu，Ryuji Fujimori，Jen Tang，Takashi Ishiwata，*Kentarou Kawaguchi |
|
| 16:10-16:28 | 2A19 |
Ultrahigh-resolution laser spectroscopy of NO3 radical by molecular beam and magnetic effect *Kohei Tada，Wataru Kashihara，Shunji Kasahara，Masaaki Baba，Takashi Ishiwata，Eizi Hirota |
|
| Return to page beginning | |||
| Venue B | |||
| [Surface] | |||
| 13:10-13:28 | 2B10 |
Real-time observation of dissolution process of tetrahedral Pt nanoparticle with In-situ high speed atomic force microscopy *Masayuki Kameyama，Yuta Yamada，Masashi Nakamura，Nagahiro Hoshi |
|
| 13:28-13:46 | 2B11 |
Effect of alkali metal cations on the surface oxidation of Pt(111) *Masashi Nakamura，Yo Nakajima，Nagahiro Hoshi，Osami Sakata |
|
| 13:46-14:04 | 2B12 |
Structural investigation of Nafion and fluorinated self-assembled monolayers by surface vibrational spectroscopies *Ichizo Yagi，Kiyoshi Inokuma，Ken'ichi Kimijima，Hideo Notsu |
|
| 14:13-14:31 | 2B13 |
Dipped adcluster model study for propylene epoxidation reaction on silver and copper surfaces *Atsushi Ishikawa，Hiroshi Nakatsuji |
|
| 14:31-14:49 | 2B14 |
Centroid Molecular Dynamics Simulation of Graphene Hydrogenation Process *Yukio Kawashima，Stephan Irle，Masanori Tachikawa |
|
| 14:49-15:07 | 2B15 |
Fabrication and structure characterization of crystalline nanofilm of 2D Hofmann-type porous coordination polymer *Shun Sakaida，Kazuya Otsubo，Osami Sakata，Akihiko Fujiwara，Hiroshi Kitagawa |
|
| 15:16-15:34 | 2B16 |
Oxidation process of nanographene by O2 gas *Junichi Takashiro，Satoshi Kaneko，Sijia Hao，Kazuyuki Takai，Manabu Kiguchi，Toshiaki Enoki，Takeo Yamada，Kenji Hata，Takafumi Ishii，Takashi Kyotani |
|
| 15:34-15:52 | 2B17 |
Theoretical study on switching mechanism of nanoelectromechanical Ag-C60-Ag molecular device *Hiroki Kawai，Tatsuhiko Ohto，Koichi Yamashita |
|
| 15:52-16:10 | 2B18 |
Electron transport and optical properties of 1, 4-benzenedithiol molecule bridging between Au electrodes *Ryuji Matsushita，Manabu Kiguchi，Masayo Horikawa，Yasuhisa Naitoh |
|
| 16:10-16:28 | 2B19 |
The Bias-Dependent Switching Behavior of STM-Induced Melamine/Cu(001) *Tatsuhiko Ohto，Rungger Ivan，Koichi Yamashita，Hisao Nakamura，Sanvito Stefano |
|
| Return to page beginning | |||
| Venue C | |||
| [Solid phase] | |||
| 13:10-13:28 | 2C10 |
Structural and Solid State Properties of Fullerenol Nanocrystal/Nanosheets *Keisuke Baba，Toshiyuki Ito，Hironori Ogata |
|
| 13:28-14:04 | 2C11 |
[Invited Talk]Development of functional molecular materials by utilizing molecular degrees of freedom *Hatsumi Mori |
|
| 14:13-14:31 | 2C13 |
Organic charge transfer salts with simultaneously photogenerated carriers and localized spins *Toshio Naito，Shigeki Mori，Keishi Ohara，Sadafumi Nishihara，Katsuya Inoue，Yukihiro Takahashi，Tamotsu Inabe |
|
| 14:31-14:49 | 2C14 |
Study of aluminum-substituted epsilon-iron oxide by Mossbauer spectroscopy *Kana Yamada，Marie Yoshikiyo，Asuka Namai，Shin-ichi Ohkoshi |
|
| 14:49-15:07 | 2C15 |
Study of the electronic structure of epsilon-iron oxide by first-principles calculation and molecular orbital calculation *Marie Yoshikiyo，Kana Yamada，Asuka Namai，Shin-ichi Ohkoshi |
|
| 15:16-15:34 | 2C16 |
Magnetic and EPR Studies on Nitroxide Radical-Lanthanoid-Based Single-Molecule Magnets *Rina Murakami，Atsushi Okazawa，Syunsuke Yoshii，Baker Michael L.，Hiroyuki Nojiri，Takayuki Ishida |
|
| 15:34-15:52 | 2C17 |
Crystal structures and magnetic properties of transition metal complexes of radical anion tdapO2 *Yoshiaki Shuku，Rie Suizu，Kunio Awaga |
|
| 15:52-16:10 | 2C18 |
Physical Properties of Cu(II)-CO3 Spin Ladder Complexes *Yuki Nakano，Xiao Zhang，Sadafumi Nishihara，Motoko Akita，Katsuya Inoue |
|
| 16:10-16:28 | 2C19 |
Nobel magnetic properties of Prussian blue analogues induced by solid state electrochemistry *Tetsuya Yamada，Kantaro Morita，Hirohumi Yoshikawa，Kunio Awaga |
|
| Return to page beginning | |||
| Venue D | |||
| [Liquid phase/Cluster/corpuscle/nano-structure] | |||
| 13:10-13:28 | 2D10 |
Photo-dissociation Dynamics of Disulfide Compounds in Ionic Liquids *Koji Osawa，Masahide Terazima，Yoshifumi Kimura |
|
| 13:28-13:46 | 2D11 |
Excitation wavelength dependence of photo-induced intramolecular proton transfer reaction in ionic liquids *Kayo Suda，Hirofumi Sato，Masahide Terazima，Yoshifumi Kimura |
|
| 13:46-14:04 | 2D12 |
Quenching of Excited State Methylene Blue Cation by Anions in Room Temperature Ionic Liquids Hitomi Kikuchi，Tsuyoshi Yoshida，Nobuyuki Akai，*Akio Kawai，Kazuhiko Shibuya |
|
| 14:13-14:31 | 2D13 |
Reaction of neutral platinum clusters with N2O in the gas phase Hirotaka Yamamoto，*Ken Miyajima，Fumitaka Mafune |
|
| 14:31-14:49 | 2D14 |
Reactivity of cationic niobium carbide clusters with nitrous oxide (N2O) *Mushtaq Sobhan，Ken Miyajima，Fumitaka Mafune` |
|
| 14:49-15:07 | 2D15 |
CO reactivity and temperature dependence of Ni and Co oxide clusters *Kazuko Sakuma，Ken Miyajima，Fumitaka Mafune |
|
| 15:16-15:34 | 2D16 |
Reactivity and stability of aluminum clusters: Production of Al7+ by etching reaction *Masashi Arakawa，Kei Kohara，Tomonori Ito，Akira Terasaki |
|
| 15:34-15:52 | 2D17 |
IR-IR double resonance experiment of CH3F-(ortho-H2)n clusteres in solid para-H2 Yuki Miyamoto，Asao Mizoguchi，*Hideto Kanamori |
|
| 15:52-16:10 | 2D18 |
Validation of a cluster model by lineshape analysis of FTIR absorption spectra of CH3F-(ortho-H2)n clusters in solid para-H2. *Yuki Miyamoto，Takamasa Momose，Hideto Kanamori |
|
| 16:10-16:28 | 2D19 |
Crystal Structure and Electronic State of a Novel 4-legged MX-tube typed Platinum Complex with Bulky Chelate Ligands *Ken-ichi Otake，Kazuya Otsubo，Kunihisa Sugimoto，Akihiko Fujiwara，Hiroshi Kitagawa |
|
| Return to page beginning | |||
| Venue E | |||
| [Theory/calculation] | |||
| 13:10-13:28 | 2E10 |
Theoretical investigation of the key step of a aldol reaction with RhI2 complex *Yoshio Nishimoto，Takahisa Fujimori，Daisuke Yokogawa，Stephan Irle |
|
| 13:28-13:46 | 2E11 |
DFT Study on Internal Alkyne/Vinylidene Isomerization at Ru Complex - Elucidation of the Reaction Mechanism and Substituent Effect - *Miho Otsuka，Noriko Tsuchida，Yousuke Ikeda，Yusuke Kimura，Yuichiro Mutoh，Youichi Ishii，Keiko Takano |
|
| 13:46-14:04 | 2E12 |
Theoretical investigation of the aza-Cope rearrangement in a supramoleculer assembly *Yusuke Ootani，Yoshinobu Akinaga，Takahito Nakajima |
|
| 14:13-14:49 | 2E13 |
[Invited Talk]Quantum Chemical Calculations on Proteins *Kazuo Kitaura |
|
| 14:49-15:07 | 2E15 |
Formulation and application of FMO-UHF energy and energy gradeint *Hiroya Nakata，Fedorov Dmitri G.，Satoshi Yokojima，Kazuo Kitaura，Shinichiro Nakata |
|
| 15:16-15:34 | 2E16 |
Recent FMO works with ABINIT-MP(X) *Yuji Mochizuki，Kaori Fukuzawa，Yoshio Okiyama，Yuto Komeiji，Chiduru Watanabe，Takayuki Tsukamoto，Tatsuya Nakano，Hirotoshi Mori，Aya Matsuda，Shigenori Tanaka |
|
| 15:34-15:52 | 2E17 |
Applications of FMO method using ABINIT-MP/BioStation *Kaori Fukuzawa，Chiduru Watanabe，Yoshio Okiyama，Takayuki Tsukamoto，Tatsuya Nakano，Shigenori Tanaka，Yuji Mochizuki |
|
| 15:52-16:10 | 2E18 |
Theoretical study on substituent effects in thermal reactions of a silene with silyl-substituted alkynes *Hiromasa Tanaka，Yoshihito Shiota，Kazunori Hori，Akinobu Naka，Mitsuo Ishikawa，Kazunari Yoshizawa |
|
| 16:10-16:28 | 2E19 |
Ab initio MO study on the interaction energy of base-pairs in DNA *Misako Aida |
|
| Return to page beginning | |||