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] | |||
| 16:30-18:00 | 3P001 |
Interatomic Coulombic decay in Ar dimer after Ar 2p→3d resonant Auger decay *Miku Kimura，Hironobu Fukuzawa，Kentaro Sakai，Subhendu Mondal，Misaki Okunishi，Edwin Kukk，Yutaro Kohno，Shin-ichi Nagaoka，Yusuke Tamenori，Norio Saito，Kiyoshi Ueda |
|
| 16:30-18:00 | 3P002 |
Elucidation of the spin-orbit branching in UV photodissociation of allyl iodide *Masataka Sumida，Takuya Hanada，Katsuyoshi Yamasaki，Hiroshi Kohguchi |
|
| 16:30-18:00 | 3P003 |
Observation of vibrationally excited levels of C2 *Masakazu Nakajima，Yasuki Endo |
|
| 16:30-18:00 | 3P004 |
Rearrangement and fluctuation of hydrogen bond in hydrated tryptamine and serotonin clusters revealed by infrared spectroscopy *Yuuki Kouno，Kenji Sakota，Hiroshi Sekiya |
|
| 16:30-18:00 | 3P005 |
Investigation of H-bonded rearrangement and excited state proton transfer of 7-Azaindole(H2O)n(n=2,3) cluster *Hayato Ikegami，Kenji Sakota，Hiroshi Sekiya |
|
| 16:30-18:00 | 3P006 |
Microwave spectrum of Bromoiodomethane, CH2IBr Shohei Sakai，*Kotomi Taniguchi，Hiroyuki Ozeki，Toshiaki Okabayashi，Bailleux Stephane，Duflot Denis，Bailey William |
|
| 16:30-18:00 | 3P007 |
Effect on the solvation by water on the structures of Br-(CH3Br) and I-(CH3Br) complexes *Eijiro Togano，Keisuke Doi，Yoshiya Inokuchi，Takayuki Ebata |
|
| 16:30-18:00 | 3P008 |
High-resolution infrared emission measurements of spectrum of GaF with dual sample cells *Shunsuke Katsuie，Norimasa Tsunoda，Koui Horiai，Hiromichi Uehara |
|
| 16:30-18:00 | 3P009 |
High-resolution infrared emission measurements of spectrum of AlH with dual sample cells *Sinka Yabe，Yukihiro Sakamoto，Koui Horiai，Hiromichi Uehara |
|
| 16:30-18:00 | 3P010 |
Detection and reactivity of VO radical using laser ablation and cavity ringdown spectroscopic detection. *Tamaki Matsumoto，Yukiko Kaneko，Kayo Maeda，Nami Yamakita，Takashi Imajou |
|
| 16:30-18:00 | 3P011 |
Emission spectrum of the A 2B2u - X 2B3g transition of butatriene cation H2CCCCH2+ *Satoshi Uchida，Mitsunori Araki，Koichi Tsukiyama |
|
| 16:30-18:00 | 3P012 |
Amplified spontaneous emission from the f ' 0g+ (1D2) ion-pair state of I2 *Shoma Hoshino，Mitsunori Araki，Koichi Tsukiyama，Masaru Fukushima，Hisashi Fujiwara，Takashi Ishiwata |
|
| 16:30-18:00 | 3P013 |
Vacuum ultra-violet spectroscopy using an NO probe *Yurie Mura，Takahiro Ogura，Takashi Imajo，Nobuyuki Akai，Akio Kawai，Kazuhiko Shibuya |
|
| 16:30-18:00 | 3P014 |
Photodetachment spectroscopy of Diphenylacetylene dimer anion *Takuto Shimamori，Toshihiko Maeyama，Asuka Fujii |
|
| 16:30-18:00 | 3P015 |
The effect of foreign gases on O2 a-X and b-X collision-induced transitions in gas mixtures *Takehiro Hidemori，Nobuyuki Akai，Akio Kawai，Kazuhiko Shibuya |
|
| 16:30-18:00 | 3P016 |
Determination of the structure of aminopyrazine-H2O clusters and the cluster growth process *Yuki Fukuda，Hiroumi Ohba，Yuji Yamada，Yoshinori Nibu |
|
| 16:30-18:00 | 3P017 |
Rate constant and temperature dependence for the reactions of C2H5+ with C2H2 using low-temperature drift tube/mass spectrometer *kenichi Iwamoto，Haruto Ikuta |
|
| 16:30-18:00 | 3P018 |
Development of an apparatus for coincidence measurements of carrier-envelope phase of few-cycle laser pulses and momentum of fragment ions: Application to D2 molecule *Toshiaki Ando，Shun Miura，Kazuki Ootaka，Atsushi Iwasaki，Huailiang Xu，Tomoya Okino，Kaoru Yamanouchi，Dominik Hoff，Tim Rathje，Gerhard G. Paulus，Markus Kitzler，Andrius Baltuska，Giuseppe Sansone，Mauro Nisoli |
|
| 16:30-18:00 | 3P019 |
Conformations of 2-hydroxytetralin studied by supersonic jet spectroscopy: Effect of non-classical weak hydrogen bonding *Mika Kibushi，Tasuku Isozaki，Tadashi Suzuki |
|
| Return to page beginning | |||
| [Liquid phase] | |||
| 16:30-18:00 | 3P020 |
Raman spectral change of water droplets dispersed in carbon tetrachloride upon laser induced temperature jump *Yuta Kotaki，Shinji Kajimoto，Hiroshi Fukumura |
|
| 16:30-18:00 | 3P021 |
Raman spectroscopy of super cooled water droplet in optical trap *Azusa Muraoka，Hidenori Suzuki，Yoshiki Matsuzaki，Maki Tachikawa |
|
| 16:30-18:00 | 3P022 |
Fluctuation of imidazolium-based ionic liquid-water mixtures studied by small-angle X-ray scattering method *Ayako NITTA，Takeshi MORITA，Keiko NISHIKAWA |
|
| 16:30-18:00 | 3P023 |
1H NMR Study on Hydrogen-Bonded Oligomers in Associating Liquid, 1-Phenyl-1-cyclohexanol *Shigenori Nagatomo，Megumi Nobuhira，Yasuhisa Yamamura，Masato Sumita，Kazuya Saito |
|
| 16:30-18:00 | 3P024 |
alcohol effect on aggregation of β-lactoglobulin *Koji Yoshida，Toshio Yamaguchi |
|
| 16:30-18:00 | 3P025 |
Interactions between iridium complexes in the excited triplet state and molecular oxygen *Naoya Hasebe，Atsushi Kobayashi，Toshitada Yoshihara，Yonekazu Deguchi，Hiroaki Horiuchi，Tetsuo Okutsu，Seiji Tobita |
|
| 16:30-18:00 | 3P026 |
Selective electronic state observation of a glycine complex in aqueous solution using X-ray emission and absorption spectroscopy *Takashi Tokushima，Yuka Horikawa，Shik Shin |
|
| 16:30-18:00 | 3P027 |
Experimental and theoretical studies of chromic properties of paddlewheel-type rhodium complexes and related complexes *Yusuke Kataoka，Yuhei Miyazaki，Yasutaka Kitagawa，Satoshi Takamizawa，Mitsutaka Okumura |
|
| Return to page beginning | |||
| [Solid phase] | |||
| 16:30-18:00 | 3P028 |
Dynamics of a One-Dimensional Chain of Water Molecules inside Porous Hydrogen-Bonded Networks *Yasukazu Hirao，Daisuke Inokuchi，Kazuyuki Takahashi，Kouzou Matsumoto，Hiroyuki Kurata，Hatsumi Mori，Takashi Kubo |
|
| 16:30-18:00 | 3P029 |
The molecular orientation and dynamics of a few organic radicals with different molecular sizes included in organic 1-D nanochannels *Hirokazu Kobayashi，Kanae Takeuchi，Tetsuo Asaji |
|
| 16:30-18:00 | 3P030 |
Pulsed Electrons Spin Nutation Spectroscopy of Weakly Exchange-coupled biradicals: A General Theoretical Approach and Determination of the Spin Dipolar Interaction Kazuki Ayabe，Kazunobu Sato，Shinsuke Nishida，Tomoaki Ise，Kenji Sugisaki，Shigeaki Nakazawa，Yasushi Morita，Kazuo Toyota，Daisuke Shiomi，Masahiro Kitagawa，*Takeji Takui |
|
| 16:30-18:00 | 3P031 |
Crystal structure and physical properties of m-fluoroanilinium/dicyclohexano[18]crown-6/[Ni(dmit)2] *Yu Ohshima，Kazuya Kubo，Shin-ichiro Noro，Tomoyuki Akutagawa，Takayoshi Nakamura |
|
| 16:30-18:00 | 3P032 |
Crystal structure and physical properties of (DABCO)2+[Ni(dmit)2]4(CH3CN)4 *Masaki Miyahara，Kazuya Kubo，Shinichiro Noro，Tomoyuki Akutagawa，Takayoshi Nakamura |
|
| 16:30-18:00 | 3P033 |
Time-resolved emission spectroscopy of LaInO3:Pr3+: transfer of carriers generated by inter-band excitation to localized dopant Hideaki Shimojo，Tomohisa Takaya，*Koichi Iwata，Yuki Mori，Daisuke Mori，Yoshiyuki Inaguma |
|
| 16:30-18:00 | 3P034 |
Quantum state manipulation of molecular spins by using isotope-labeled diphenylnitroxide derivatives in single crystals *Ayaka Tanaka，Kazunobu Sato，Tomohiro Yoshino，Shinsuke Nishida，Shigeaki Nakazawa，Robabeh Rahimi，Kazuo Toyota，Daisuke Shiomi，Yasushi Morita，Masahiro Kitagawa，Takeji Takui |
|
| 16:30-18:00 | 3P035 |
Proton conduction in microporous crystal with one-dimensional asymmetric channel *Kentaro Miyazaki，Yoshiyuki Kageyama，Goro Maruta，Sadamu Takeda |
|
| 16:30-18:00 | 3P036 |
An Electronic Structure and Spin Dynamics of a Binuclear Rhenium Complex with Biimidazolate Ligands in Mixed-Valence State as Studied by ESR Spectroscopy *Takeshi Yamane，Kazunobu Sato，Kenji Sugisaki，Kazuo Toyota，Daisuke Shiomi，Makoto Yoshizawa，Makoto Tadokoro，Takeji Takui |
|
| 16:30-18:00 | 3P037 |
A light-induced valence tautomerism (LIVT) of the cobalt mononuclear complex (2) *Atsushi Tashiro，Shinji Kanegawa，Osamu Sato，Yoshio Teki |
|
| 16:30-18:00 | 3P038 |
Synthesis and Magnetic Properties of Co Complexes with an Organic π-Conjugated Stable Radical Ligand. *Koichi Katayama，Masakazu Hirotsu，Isamu Kinoshita，Yoshio Teki |
|
| 16:30-18:00 | 3P039 |
Dynamics of dinuclear Iron SCO complexes *Hiroto NOMA，Yoshiyuki Kageyama，Goro Maruta，Sadamu Takeda |
|
| 16:30-18:00 | 3P040 |
Structures and properties of tetramethyl-TTP(TMTTP) salts *Shuhei Kohno，Yusaku Harada，Takashi Shirahata，Tadashi Kawamoto，Takehiko Mori，Yohji misaki |
|
| 16:30-18:00 | 3P041 |
Synthesis, Structures and Conducting Properties of a Novel Organic CT Complex with Tetragonal Crystal Symmetry *Toshiki Higashino，Tadashi Kawamoto，Takehiko Mori |
|
| 16:30-18:00 | 3P042 |
Structural and Physical Properties of Molecular Conductors Derived from New Chiral Donors *Masaki Ota，Hiroki Akutsu，Shin'ichi Nakatsuji，Jun-ichi Yamada |
|
| 16:30-18:00 | 3P043 |
Relationship between Crystal Structures and Magnetic Interactions for Radical-Coordinated Lanthanoid Complexes *Takuya Kanetomo，Rina Murakami，Takayuki Ishida |
|
| 16:30-18:00 | 3P044 |
Structure and Electronic Properties of Mixed-Stacking Ni(dmit)2 Salts *Tatsuya Shimokawa，Hiromichi Kamo，Takahisa Shikama，Takayuki Isono，Akira Ueda，Hatsumi Mori，Hiroyuki Tajima，Motoi Kimata |
|
| 16:30-18:00 | 3P045 |
Structural and Physical Properties of Molecular Conductors Derived from New Ethylenedioxy-Substituted Donors *Jun-ya Mitsunaga，Hiroyuki Komatsu，Hiroki Akutsu，Shin-ichi Nakatsuji，Jun-ichi Yamada |
|
| 16:30-18:00 | 3P046 |
Structure and Electronic function of Alloyed (Pb,Sn)-I system Organic-Inorganic Hybrids *Yu Kudo，Tsuyoshi Osaki，Giancarlo Lorena，Hiroyuki Hasegawa，Yukihiro Takahashi，Jun Harada，Tamotsu Inabe |
|
| 16:30-18:00 | 3P047 |
Structures and properties of the protonated pyridyl-substituted TTF derivatives *Sanhchul Lee，Akira Ueda，Hatsumi Mori |
|
| 16:30-18:00 | 3P048 |
Molecular conductors composed of phthalocyanine-like macrocyclic ligands *Masaki Matsuda，Yumi Hamada，Hiroko Oishi，Ryusuke Yoshimoto |
|
| 16:30-18:00 | 3P049 |
Study on macrocyclic biradicals having bis-bipyridine system *Akira Nozawa，Takayuki Ishida |
|
| Return to page beginning | |||
| [Surface] | |||
| 16:30-18:00 | 3P050 |
The Quantity of Hydrogen Adsorption on Nano-Carbons Evaluated by Langmuir Isotherm *Shigeru Ishikawa，Tokio Yamabe |
|
| 16:30-18:00 | 3P051 |
Two-dimensional metastable impact electron spectroscopy of ultrathin film of transition metal compounds *Naoki Kishimoto，Yuki Takano |
|
| 16:30-18:00 | 3P052 |
Observation of vibrational spectra of lipid membranes by tip-enhanced Raman spectroscopy *Tomonori Nomoto，Atsushi Nakata，Taro Toyota，Masanori Fujinami |
|
| 16:30-18:00 | 3P053 |
The mechanism of oxygen reduction reaction on Ta3N5 O-substituted surfaces from first principle calculations *Eriko Watanabe，Hiroshi Ushiyama，Koichi Yamashita |
|
| 16:30-18:00 | 3P054 |
Molecular Dynamics Simulation on Vibrational Cooling at air/water Interface *Tatsuya Hattori，Tahei Tahara |
|
| 16:30-18:00 | 3P055 |
A molecular dynamics study on inner pressure of microbubbles in liquid argon and water *Hideaki Takahashi，Akihiro Morita |
|
| 16:30-18:00 | 3P056 |
What is orientation analysis using surface spectroscopy? - Study with MD simulation - *Yusuke Takei，Tatsuya Ishiyama，Akihiro Morita |
|
| 16:30-18:00 | 3P057 |
Calculation of bulk contribution via electric quadrupole in second-order nonlinear interfacial spectroscopy *Hiromi Sawai，Kazuya Shiratori，Tatsuya Ishiyama，Akihiro Morita |
|
| 16:30-18:00 | 3P058 |
Various ionic effects to water surface structure -Computational Chemical analysis of Sum Frequency Generation spectra- *Takako Imamura，Yuri Mizukoshi，Tatsuya Ishiyama，Akihiro Morita |
|
| 16:30-18:00 | 3P059 |
Calculation of surface acidity of water solution of trimethylamine *Yusuke Tabe，Hideaki Takahashi，Akihiro Morita |
|
| 16:30-18:00 | 3P060 |
Protonated Carboxyl Anchor for Stable Adsorption of Ru N749 Dye (Black Dye) on a TiO2 Anatase (101) Surface *Keitaro Sodeyama，Masato Sumita，Yoshitaka Tateyama |
|
| Return to page beginning | |||
| [Cluster/corpuscle/nano-structure] | |||
| 16:30-18:00 | 3P061 |
Highly-sensitive SERS using propagating and localized surface plasmon *Hayato Chiba，Masayuki Futamata |
|
| 16:30-18:00 | 3P062 |
[Canceled] |
|
| 16:30-18:00 | 3P063 |
Elementary Processes of Excited CdTe/Au Hybrid Nanostructures *Tomoki Okuhata，Yoichi Kobayashi，Yoshiyuki Nonoguchi，Tsuyoshi Kawai，Naoto Tamai |
|
| 16:30-18:00 | 3P064 |
Synthesis of Cu-doped CdSe Nanocrystals and Laser Spectroscopic Study on their Photophysical Properties *Masakazu Ozaki，Shota Miyamae，Motohiro Tsuboi，Naoto Tamai |
|
| 16:30-18:00 | 3P065 |
Fluorescence lifetime changes of dyes near gold nanowires by surface plasmon excitation: Independent excitation of dyes and surface plasmon by using two-color lasers. *Yusuke Chiba，Chio Ishida，Shinji Kajimoto，Noriko Horimoto，Hiroshi Fukumura |
|
| 16:30-18:00 | 3P066 |
Control of plasmonic optical fields with shaped femtosecond pulses *Keisuke Imaeda，Kohei Imura |
|
| 16:30-18:00 | 3P067 |
Tunnel current and voltage effects in STM tip enhanced Raman spectrascopy: Influence of temperature on photoluminescence *Yasuhiko Fujita，Shinji Kajimoto，Noriko Horimoto，Hiroshi Fukumura |
|
| 16:30-18:00 | 3P068 |
Scanning probe microscopy of monodispersed metal nanoclusters deposited on a substrate *Hiroki Sekiya，Hironori Tsunoyama，Masato Nakaya，Toyoaki Eguchi，Atsushi Nakajima |
|
| 16:30-18:00 | 3P069 |
Photoresponsive Au25 Nanocluster Protected by Azobenzene Derivative Thiolates *Ukyo Kamimura，Michiyo Hirayama，Yuichi Negishi |
|
| 16:30-18:00 | 3P070 |
Elucidation of the inhomogeneity of Tetra-PEG gel *Takashi Hiroi，Kengo Nishi，Takamasa Sakai，Mitsuhiro Shibayama |
|
| 16:30-18:00 | 3P071 |
Electronic properties of low-dimensional nanostructures for metal-encapsulating silicon cage clusters *Takeshi Iwasa，Atsushi Nakajima |
|
| 16:30-18:00 | 3P072 |
Quantum chemical calculations on the structures of rare gas cyclobutane van der Waals complexes *Kiyoshi Miyagawa，Toichi Konno，Yasushi Ozaki |
|
| 16:30-18:00 | 3P073 |
Formation mechanism of (5,5) and (6,6) carbon nanotubes, and fullerenes Kenro Hashimoto，*Takashi Omachi，Yohji Achiba |
|
| 16:30-18:00 | 3P074 |
Theoretical Study for Optical Properties of Au8 complexes *Sachio Hayashi，Mizuho Miki，Yasutaka Kitagawa，Takashi Kawakami，Shusuke Yamanaka，Mitsutaka Okumura |
|
| 16:30-18:00 | 3P075 |
Effects of dimerization and intramoleculaer interaction on molecular rotation in selenoanisole *Noriaki Kobayashi，Yoshihiro Yamakita |
|
| 16:30-18:00 | 3P076 |
Small angle X-ray scattering and polarization anisotropy measurements of liquid-crystal-capped gold nanorods aligned by an external electric field *Erika Kochi，Hiroyasu Hotta，Takeshi Morita，Yoshikiyo Hatakeyama，Keiko Nishikawa，Kazuyuki Hino |
|
| Return to page beginning | |||
| Poster Session Hall 2 | |||
| [Cluster/corpuscle/nano-structure] | |||
| 16:30-18:00 | 3P077 |
Preparation and Function of Liquid Crystal 5CB Doped with Pd Nanoparticles Stabilized by Cyanobiphenyl Derivatives Akari Zenmyo，Akari Ohkubo，Kohei Yamamoto，Koji Oki，*Makoto Inokuchi，Kazuhiro Yabuuchi |
|
| Return to page beginning | |||
| [Biomolecules] | |||
| 16:30-18:00 | 3P078 |
Surface-enhanced Raman scattering study of various myoglobin derivatives *Masatoshi Egashira，Toshiaki Suzuki，Xiaoxia Han，Yukihiro Ozaki |
|
| 16:30-18:00 | 3P079 |
Molecular structure analysis of the human hair inside by using VSFG detected IR super-resolution microscopy *Tomoki Tajima，Takaki Sato，Kikuchi Katsuya，Masaaki Fujii，Shinobu Nagase，Yuuji Hirano，Takashi Itou，Makoto Sakai |
|
| 16:30-18:00 | 3P080 |
Conformational transition analysis of DHFR with dual Go-model simulation *Masato Teranishi，Kazutomo Kawaguchi，Hiroaki Saito，Hidemi Nagao |
|
| 16:30-18:00 | 3P081 |
Structural fluctuation of signaling state of light sensor protein phototropin *Yusuke Nakasone，Koji Okajima，Satoru Tokutomi，Masahide Terazima |
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| Return to page beginning | |||
| [Liquid phase] | |||
| 16:30-18:00 | 3P082 |
Monte Carlo study of liquid-solid phase transition of the mW monatomic water system in the multicanonical ensemble *Chizuru Muguruma |
|
| Return to page beginning | |||
| [Biomolecules] | |||
| 16:30-18:00 | 3P083 |
Study on reaction dynamics of a UV-B light sensor protein UVR8 *Takaaki Miyamori，Yusuke Nakasone，Kenichi Hitomi，John M Christie，Elizabeth D Getzoff，Masahide Terazima |
|
| 16:30-18:00 | 3P084 |
Hydrogen-bonding Network and His64 in Carbonic Anhydrase *Koyimatu Muhamad，Hideto Shimahara，Kimikazu Sugimori，Masashi Iwayama，Tetsuya Sugimori，Kazutomo Kawaguchi，Hiroaki Saito，Takuya Yoshida，Takashi Nakazawa，Tadayasu Ohkubo，Yuji Kobayashi，Hidemi Nagao |
|
| Return to page beginning | |||
| [Theory/calculation] | |||
| 16:30-18:00 | 3P085 |
Ionization dynamics of the hydrated peptides. *Takahiro Fukuzumi，Hiroto Tachikawa |
|
| 16:30-18:00 | 3P086 |
Excited triplet state dynamics of hydrated benzophenone and fluorenone *Tetsuji Iyama，Hiroto Tachikawa |
|
| 16:30-18:00 | 3P087 |
DFT study on the interaction of ethylene carbonete derivatives with graphene surface *Shigeaki ABE，Fumio WATARI，Hiroto TACHIKAWA |
|
| 16:30-18:00 | 3P088 |
Theoretical study of selectivity mechanism on photoisomerization reaction between cyclohexadiene and hexatriene. *Ayumi Ohta，Toshimasa Ishida，Shinkoh Nanbu |
|
| 16:30-18:00 | 3P089 |
Migration of neutral H2 in methanol dication *Katsunori Nakai，Tsuyoshi Kato，Hirohiko Kono，Kaoru Yamanouchi |
|
| 16:30-18:00 | 3P090 |
Abinitio vibrational frequency calculations for intermolecular vibrational mode of molecular cluster *ryosuke tani，Yu Harabuchi，tetsuya Taketsugu |
|
| 16:30-18:00 | 3P091 |
The Electronic Structure of CrN molecule: Astudy *Takeo Sakai |
|
| 16:30-18:00 | 3P092 |
Muon-Electron Hyperfine Coupling Constants of Muonium-Substituted Ethyl Radicals: An Ab Initio Path Integral Simulations Study *Kenta Yamada，Yukio Kawashima，Masanori Tachikawa |
|
| 16:30-18:00 | 3P093 |
Dynamic polarizability evaluation using a multi-resolution multi-wavelet basis set for wide range of frequency *Yukina Yokoi，Tetsuya Kato，Hideo Sekino |
|
| 16:30-18:00 | 3P094 |
Theoretical Study on Vector Correlations in Photodissociation of ICl *Takahide Matsuoka，Satoshi Yabushita |
|
| 16:30-18:00 | 3P095 |
A theoretical study on the IR intensity dependence of diatomic hydrides AH *Hirokazu Takahashi，Satoshi Yabushita |
|
| 16:30-18:00 | 3P096 |
Theoretical Study on the Photodissociation Processes of Tri-iodide Anion Satomi Kowashi，*Shunpei Abe，Michihiko Sugawara，Ryuzo Nakanishi，Takashi Nagata，Satoshi Yabushita |
|
| 16:30-18:00 | 3P097 |
Molecular integration with one-electron Gaussian type complement functions generated by the FC method *Yusaku Kurokawa，Atsushi Ishikawa，Hiroshi Nakatsuji |
|
| 16:30-18:00 | 3P098 |
Quantum optimal control of isomerization including nonadiabatic processes *Yuzuru Kurosaki，Tak-San Ho，Herschel Rabitz |
|
| 16:30-18:00 | 3P099 |
Density functional theory based on the Douglas-Kroll-Hess Hamiltonian and its application to NMR shielding constants of CuX, AgX, and AuX (X = F, Cl, Br, and I) *Terutaka Yoshizawa，Shigeyoshi Sakaki |
|
| 16:30-18:00 | 3P100 |
Theoretical study on ultrafast decay processes of pyridine using MS-CASPT2 methods *Katsuhiro Nakano，Toshifumi Mori，Shigehiko Hayashi，Shigeki Kato |
|
| 16:30-18:00 | 3P101 |
Strange behavior of DK relativistic correction on the CoH ab initio calculation *Umpei Nagashima，Mutsumi Tomonari，Tsuneo Hirano |
|
| 16:30-18:00 | 3P102 |
Theoretical study on malonaldehyde in aqueous solution by simulated tempering umbrella sampling *Yoshiharu Mori，Yuko Okamoto |
|
| 16:30-18:00 | 3P103 |
theorical study of supramolecular function of fluorescent probe/cyclodextrin complex sensors of sugar in water *ryota shimada |
|
| 16:30-18:00 | 3P104 |
A DFT study for the structure and excitation energy of cyclotetrasiloxane compounds in the water solvent *Hiroaki Shinohara，Takako Kudou |
|
| 16:30-18:00 | 3P105 |
GPGPU acceleration for calculation of energy distribution function *Takuhito Shiogama，Hiroaki Saito，Kazutomo Kawaguchi，Hidemi Nagao |
|
| 16:30-18:00 | 3P106 |
QM/MM free energy calculations using multipole and damping function *Yusuke Inoue，Takahiro Kosugi，Shigehiko Hayashi |
|
| 16:30-18:00 | 3P107 |
Quantum chemical study on the fluorescence spectrum of squaraine molecule *Hitoshi Ozawa，Kazunori Yashiro，Takuma Yamamoto，Satoshi Yabushita |
|
| 16:30-18:00 | 3P108 |
Evaluation of decoherence from quantum-classical molecular dynamics simulations *Tatsuya Joutsuka，Damien Laage，Ward Thompson |
|
| 16:30-18:00 | 3P109 |
Theoretical investigation of the structures and dynamics of molecular gyroscopes encapsulating halogen-substituted phenylene rotators *Anant Babu Marahatta，Manabu Kanno，Wataru Setaka，Hirohiko Kono |
|
| 16:30-18:00 | 3P110 |
First-principles GGA+U Calculations of F-Doped Anatase Titanium Dioxide For TCOs *Nanako Mizuguchi，Hideyuki Kamisaka，Koichi Yamashita |
|
| 16:30-18:00 | 3P111 |
Theoretical study of charge transfer and deactivation process of donor-acceptor type thiophene derivatives *Osamu Kobayashi，Tomoko Akama，Toshimasa Ishida，Shinkoh Nanbu |
|
| 16:30-18:00 | 3P112 |
Theoretical study of noble-gas binding effect on vibrational spectroscopy of MCO (M = Pd, Pt) *Yuriko Ono，Akira Nakayama，Toshiyuki Takayanagi，Tetsuya Taketsugu |
|
| 16:30-18:00 | 3P113 |
Optimization of relative arrangements of molecules *Hideo Yamakado，Yu Sawada，Koichi Ohno |
|
| 16:30-18:00 | 3P114 |
Effects of inter-chain interactions on band structure of trigonal-Se: A DFT study using linear combination of Bloch orbitals of isolated systems *Masafuyu Matsui |
|
| 16:30-18:00 | 3P115 |
quantum chemical study on the structure and reactivity of III-V hexagonal compounds *Masakazu Sasaki，Kota Sato |
|
| 16:30-18:00 | 3P116 |
Theoretical study on the reaction mechanism of formation of lutidine derivatives *Hiroyuki Teramae，Yasuko Maruo |
|
| 16:30-18:00 | 3P117 |
Orientation dependence of charge-separation process at the interface tetrabenzoporphyrin/C60 derivatives *Tomoya Nagano，Mikiya Fujii，Ryota Jono，Koichi Yamashita |
|
| 16:30-18:00 | 3P118 |
Theoretical analysis on carbon nanotube - polythiophene interfaces *Katsuhiko Nishimra，Mikiya Fujii，Ryota Jono，Kouichi Yamashita |
|
| 16:30-18:00 | 3P119 |
Theoretical investigation on hole transfer between different molecules *Norio Tomotsu，Koharu Aikawa，Kenji Morihashi |
|
| 16:30-18:00 | 3P120 |
Ab initio analysis of adsorption mechanism on carbon alloy catalysts *Tomoyuki Hata，Hiroshi Ushiyama，Koichi Yamashita |
|
| 16:30-18:00 | 3P121 |
Theoretical study on substrate specificity of a CeO2 catalyst for nitrile hydration using DFT calculation *Yukio Yoshikawa，Kyoichi Sawabe，Atsushi Satsuma |
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| 16:30-18:00 | 3P122 |
Ab initio studies on the electronic states of metal complexes linked to a semiconductor *Soichi Shirai，Shunsuke Sato，Takeshi Morikawa，Ryoji Asahi |
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| 16:30-18:00 | 3P123 |
A molecular dynamics study on hydrogen hydrate *Masashi Higashi，Shinichi Miura |
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| 16:30-18:00 | 3P124 |
Application of Time-Dependent Adiabatic State Approach to Nanocarbons: Simulation of Near-infrared Excitation of Raman Active Modes *Kaoru Yamazaki，Takashi Nakamura，Naoyuki Niitsu，Manabu Kanno，Kono Hirohiko |
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| 16:30-18:00 | 3P125 |
Simulation of the fragmentation dynamics of photoexcited C60 fullerene *Takashi Nakamura，Naoyuki Niitsu，Manabu Kanno，Hirohiko Kono，Kiyoshi Ueda |
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| 16:30-18:00 | 3P126 |
A Theoretical Study of the Valence Isomers of the Mixed Si/C-Benzene *Atsumi Mesuda，Takako Kudou |
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| 16:30-18:00 | 3P127 |
Molecular Dynamics Study of Dynamical Properties in Ionic Liquids *Tateki Ishida |
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| 16:30-18:00 | 3P128 |
Spectral analysis of crystals composed of [M(CN)4]2- {M=Pt,Pd,Ni} and Methylviologen *Ryohei Kojima，Hirotoshi Mori，Yuji Mochizuki，Waka Uenohara，Nobuyuki Matsushita |
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| 16:30-18:00 | 3P129 |
Theoretical investigation of H/D isotope-induced chemical shift in ethylene and benzene derivatives *Kimikazu Sugimori，Hiroyuki Kawabe，Hideto Shimahara |
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| 16:30-18:00 | 3P130 |
Theoretical study of inverted sandwich type complexes of hetero transition metals bridged by dinitrogen molecule *Masayuki Nakagaki，Shigeyoshi Sakaki |
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