Oral Sessions
Thursday, September 26 (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.
Thursday Morning Sessions(September 26, starting at 9:00)
[Gas phase]
| 9:00-9:18 | 3A01 |
Multiphoton multiple ionization dynamics of rare-gas clusters by X-ray free electron laser （IMRAM, Tohoku Univ.1，CFEL, DESY2，Lund Univ.3，RIKEN SPring-8 Center4，Kyoto Univ.5，Imperial College London6，Hiroshima Univ.7，Synchrotron SOLEIL8，Uppsala Univ.9，JASRI10，Univ. of Hamburg11）*Tetsuya Tachibana1，Zoltan Jurek2，Per Johnsson3，Hironobu Fukuzawa1, 4，Koji Motomura1，Kiyonobu Nagaya4, 5，Marco Siano6，Shin-ichi Wada4, 7，Subhendu Mondal1，Miku Kimura1，Yuta Ito1，Tsukasa Sakai5，Kenji Matsunami5，Hironori Hayashita7，Jumpei Kajikawa7，XiaoJing Liu8，Emmanuel Robert8，Miron Catalin8，Raimund Feifel9，Jon Marangos9，Kensuke Tono10，Yuichi Inubushi4，Takaki Hatsui4，Makina Yabashi4，Beata Ziaja2，Sang-Kil Son2，Robin Santra2, 11，Makoto Yao5，Kiyoshi Ueda1, 4 |
| 9:18-9:36 | 3A02 |
Coulomb explosions of highly charged fullerene cations C60q+ (q = 20-60) and their fragments （Graduate School of Science, Tohoku Univ.1，AIST2，IMRAM, Tohoku Univ.3）*Kaoru Yamazaki1，Takashi Nakamura1，Naoyuki Niitsu1, 2，Manabu Kanno1，Kiyoshi Ueda3，Hirohiko Kono1 |
| 9:36-9:54 | 3A03 |
Measurement of superradiance from a multi-level system in atomic helium （Faculty of Science and Engineering, Kinki University1，Institute for Molecular Science2，RIKEN3，Research Core for Extreme Quantum World, Okayama University4，Graduate School of Natural Science and Technology, Okayama University5，Faculty of Science, Okayama University6，Japan Synchrotron Radiation Research Institute7）*Kyo Nakajima1，Hiroshi Iwayama2, 3，Susumu Kuma3, 4，Yuki Miyamoto3, 5，Mitsuru Nagasono3，Itsuo Nakano4，Noboru Sasao3, 4，Eiji Shigemasa2, 3，Tadashi Togashi7，Satoshi Uetake5，Tomonari Wakabayashi1，Akihiro Yoshimi4，Motohiko Yoshimura6 |
| 9:54-10:12 | 3A04 |
XFEL-induced deep inner-shell multi-photon multiple ionization and subsequent ultrafast charge migration in iodomethane and 5-iodouracil molecules （IMRAM, Tohoku University1，Univ. of Turku2，Hiroshima University3，RIKEN SPring-8 Center4，Kyoto University5，Kansas State Univ.6，SOLEIL7，SARI8，SINAP9，POSTECH10，JASRI11）*Koji Motomura1，Edwin Kukk2，Shin-ichi Wada3, 4，Kiyonobu Nagaya4, 5，Hironobu Fukuzawa1, 4，Subhendu Mondal1，Tetsuya Tachibana1，Yuta Ito1，Ryosuke Koga3，Tsukasa Sakai5，Kenji Matsunami5，Artem Rudenko6，Christophe Nicolas7，XiaoJing Liu7，Catalin Miron7，Yizhu Zhang8，Yuhai Jiang8，Jianhui Chen9，Anand Mailam10，Dong Eon Kim10，Kensuke Tono11，Yuichi Inubushi4，Takaki Hatsui4，Makina Yabashi4，Makoto Yao5，Kiyoshi Ueda1, 4 |
| 10:30-11:06 | 3A06 |
[Young Scientist Award Talk]X-ray and electron scattering studies on electronic structures and electronic excitation dynamics of molecules （IMRAM, Tohoku Univ.）*Noboru Watanabe |
| 11:06-11:24 | 3A08 |
Angular correlation of a pair of Lyman-α photons produced in the photodissociation of H2 （Tokyo Tech1，AIST2，KEK-PF3，Sophia University4）*Yuko Nakanishi1，Kouichi Hosaka1，Ryouko Kougo1，Motoyoshi Nakano1，Yoshiaki Kumagai1，Kenichi Shiino1，Isao Suzuki2, 3，Takeshi Odagiri4，Masashi Kitajima1，Noriyuki Kouchi1 |
| 11:24-11:42 | 3A09 |
Development of a 90-nm vacuum-ultraviolet ultrashort pulse laser and its application to time-resolved photoelectron imaging （Graduate School of Science, Kyoto Univ.1，RIKEN2）*Shunsuke Adachi1，Motoki Sato1，Toshinori Suzuki1, 2 |
| 11:42-12:00 | 3A10 |
Photodissociation dynamics of acetone studied by time-resolved electron momentum spectroscopy （IMRAM, Tohoku Univ.）*Masakazu Yamazaki，Keiya Oishi，Hiroyuki Nakazawa，Yuji Kasai，Masahiko Takahashi |
[Surface/Interface]
| 9:00-9:18 | 3B01 |
Significantly enhanced hydrogen-storage capacity and speed in Pd nanocrystals coating with Cu3(BTC)2, BTC = 1,3,5-benzenetricarboxylate) （Grad. Sch. Sci. of Kyoto Univ.1，JST-CREST2，Grad. Sch. Sci. of Osaka Pref. Univ.3，HVEM of Kyushu Univ.4）*Guangqin Li1，Hirokazu Kobayashi1, 2，Hiroshi Kitagawa1, 2，Yoshiki Kubota3，Shoichi Toh4，Tomokazu Yamamoto4，Syo Matsumura4 |
| 9:18-9:36 | 3B02 |
Size and shape control of Pd nano-cluster on template of n-alkane monolayer （Faculty of Engineering, TUAT1，Faculty of Engineering, Chiba-Univ.2，KEK-PF3）*Osamu Endo1，Masashi Nakamura2，Kenta Amemiya3，Hiroyuki Ozaki1 |
| 9:36-9:54 | 3B03 |
Anomalous structured nanoceramics fabrication in carbon nanospaces （Graduate School of Advanced Integration Science, Chiba Univ.1，Graduate School of Science, Chiba Univ.2）*Yuki Ohyama1，Hirohumi Kanoh2，Tomonori Ohba2 |
| 9:54-10:12 | 3B04 |
Infrared spectroscopy of metal ion-crown ether complexes on Au surface （Hiroshima University1，Institute for Molecular Science2）*Takahiro Mizuuchi1，Toshiaki Ikeda1，Takeharu Haino1，Hao Guo2，Tetsunari Kimura2，Yuji Hurutani2，Takayuki Ebata1，Yoshiya Inokuchi1 |
| 10:12-10:30 | 3B05 |
A study of solvation behavior of oxygen nanobubbles in water by quenching reaction （Division of Chemistry, Univ. of Tsukuba）*Yoshinobu Nishimura，Tatsuo Arai |
| 10:48-11:06 | 3B07 |
Effects of cocatalyst on carrier dynamics and photocatalytic activity of BaLa4Ti4O15 for water splitting （Kyoto U.1，Tokyo U. of Science2）*Mitsunori Yabuta1，Tomoaki Takayama2，Kazuya Watanabe1，Akihiko Kudo2，Toshiki Sugimoto1，Yoshiyasu Matsumoto1 |
| 11:06-11:24 | 3B08 |
Power-law blinking of perylenediimide dyes in a polymer: Is power-law blinking of on-time true? （Graduate School of Science, Shizuoka University）*Masaaki Mitsui，Shun Azechi |
| 11:24-11:42 | 3B09 |
Femtosecond pump-probe spectroscopy of epitaxial graphene on 4H-SiC{0001} （School of Science and Technology, Kwansei Gakuin Univ.）Hidefumi Shigemasa，Keijiro Tobikawa，Yasunori Kutsuma，Noboru Ohtani，Tadaaki Kaneko，*Naoto Tamai |
| 11:42-12:00 | 3B10 |
Visualization of the inhomogeneous exciton diffusion and electron transfer reaction for P3HT - PCBM solid film by means of wide field transient absorption microscopy measurement （JST PRESTO1，Graduate School of engineering science, Osaka Univ.2）*Tetsuro Katayama1, 2，Akira Jinno2，Hiroshi Miyasaka2 |
[Clusters/Particles/Nanostructures]
| 9:00-9:18 | 3C01 |
Multiple atoms encapsulated fullerenes: Ultraviolet photoelectron spectra, structure and electronic structure (X) （Graduate School of Science and Engnieering）*Takafumi Miyazaki，Shojun HIno |
| 9:18-9:36 | 3C02 |
Why is a near armchair structure so favorable in carbon nanotube growth （Graduate School of Science and Technology, Tokyo Metropolitan Univ.）*Yohji Achiba，Takeshi Kodama，Kenro Hashimoto，Haruo Shiromaru |
| 9:36-10:12 | 3C03 |
[Invited Talk]Fabrication of graphene nanoribbons from carbon nanotubes （Graduate School of Science, Nagoya Univ.）*Hisanori Shinohara |
[Solid phase]
| 10:30-10:48 | 3C06 |
The study of the mechanism for double quantum transitions of ground-state triplet iminonitroxide-nitroxide （Graduate School of Science, Osaka City Univ.）*Shigeaki Nakazawa，Moeko Kawamori，Kenji Sugisaki，Kazuo Toyota，Daisuke Shiomi，Kazunobu Sato，Kosuke Omukai，Takanori Furui，Masato Kuratsu，Shuichi Suzuki，Masatoshi Kozaki，Keiji Okada，Takeji Takui |
| 10:48-11:06 | 3C07 |
Crystal structures and magnetic properties of radical anion salts and transition metal complexes of an electron acceptor molecule tdapO2 （RCMS, Nagoya Univ.）*Yoshiaki Shuku，Rie Suizu，Kunio Awaga |
| 11:06-11:24 | 3C08 |
Intramolecular magnetic interaction in excited states of lanthanide single-molecule magnets （Graduate School of Science, Osaka Univ.）*Naoto Ishikawa |
| 11:24-11:42 | 3C09 |
f-pi interaction in excited states of lanthanide complexes and single-molecule magnets （Graduate school of Science,Osaka University）*Hideaki Ozawa，toshiya Kobayasi，Ryota Matsuoka，Akira Fuyuhiro，Takamitsu Fukuda，Naoto Ishikkawa |
| 11:42-12:00 | 3C10 |
Theoretical studies on structure and electronic structure of double-decker Tb(III)-phthalocyanine complex （Graduate School of Science, Osaka University1，Graduate School of Science, Tohoku University2，JST CREST3）*Yasutaka Kitagawa1, 3，Shohei Yoshimura1，Katoh Keiichi2, 3，Takashi Kawakami1，Shusuke Yamanaka1，Masahiro Yamashita2, 3，Mitsutaka Okumura1 |
[Biomolecules]
| 9:00-9:18 | 3D01 |
An efficient searching of optimized geometries for proteins and DNA by ELG-OPT method （Faculty of Engineering Sciences, Kyushu University1，JST-CREST2）*Yuriko Aoki1, 2，Kai Liu1，Peng Xie1，Yuuichi Orimoto1 |
| 9:18-9:36 | 3D02 |
Specific DNA sequence search and recognition mechanism of transcription factor p53: Multi-scale simulation study （Graduate School of Science, Kyoto Univ.1，Institute of protein research, Osaka Univ.2）*Tsuyoshi Terakawa1，Higo Junichi2，Shoji Takada1 |
| 9:36-9:54 | 3D03 |
Theoretical study of proton transfer dynamics of the guanine-cytosine base pair anion （Graduate School of Science and Engineering, Saitama Univ.）*Yuji Sugioka，Toshiyuki Takayanagi |
| 9:54-10:12 | 3D04 |
Theoretical studies on inhibition mechanism of sialic acid analogues against neuraminidases: LERE-QSAR approach （Kyushu Univ. IMCE）*Seiji Hitaoka，Kazunari Yoshizawa |
| 10:30-10:48 | 3D06 |
Replica-permutation method without the detailed balance condition （IMS1，Sokendai2）*Satoru Itoh1, 2，Hisashi Okumura1, 2 |
| 10:48-11:06 | 3D07 |
Theoretical study on the pressure dependence of a helical peptide （Inst. Mol. Sci.1，SOKENDAI2）*Yoshiharu Mori1，Hisashi Okumura1, 2 |
| 11:06-11:24 | 3D08 |
Computational Mutation analysis for Diol Dehydratase using QM/MM Method （IMCS, Kyushu Univ.1，Graduate school of natural science and thechnology, Okayama Univ.2）*Kazuki Doitomi1，Takashi Kamachi1，Tetsuo Toraya2，Kazunari Yoshizawa1 |
| 11:24-11:42 | 3D09 |
Free energy profile and interaction analysis in the dissociation process of ADP from Hsp90 （Institute of Science and Engineering, Kanazawa University）*Kazutomo Kawaguchi，Hiroaki Saito，Hidemi Nagao |
| 11:42-12:00 | 3D10 |
Electrostatic potential profile of lipid bilayer containing gramicidin A and its response to the change of electrostatic field （Institute of Science and Engineering, Kanazawa University）*Hiroaki Saito，Kazutomo Kawaguchi，Hidemi Nagao |
[Theory/Calculation]
| 9:00-9:18 | 3E01 |
Nonadiabatic dynamics with multiconfigurational Ehrenfest method （School of Chemistry, University of Leeds）*Kenichiro Saita，Shalashilin Dmitrii V. |
| 9:18-9:36 | 3E02 |
Variational path integral molecular dynamics method combined with electronic structure calculations （School of Mathematics and Physics, Kanazawa University1，Institute for Molecular Science2）*Shinichi Miura1，Tsutomu Kawatsu1, 2 |
| 9:36-9:54 | 3E03 |
Development for the ab initio path integral instanton method （IMS1，Nat Sci & Tech, Kanazawa U2，Nat Sci & Tech, Kanazawa U3）*Tsutomu Kawatsu1, 2，Shinichi Miura3 |
| 9:54-10:12 | 3E04 |
Theory of Excitation-Energy Transfer and its Application （Graduate School of System Informatics, Kobe University）*Kazuhiro Fujimoto |
| 10:12-10:30 | 3E05 |
Contribution of orbital interactions to the attraction between molecules: Analysis of hydrogen bond, cation/pi and CH/pi interactions （Nanosystem Res. Inst., AIST）*Seiji Tsuzuki，Tadafumi Uchimaru |
| 10:30-10:48 | 3E06 |
Development and assessment of the massively-parallel density functional theory using real-space grids （Graduate School of Science, Tohoku Univ.）*Hideaki Takahashi，Yuji Miki，Akihiro Morita |
| 10:48-11:06 | 3E07 |
Free energy analyses of the fluctuation of π electrons in a polar solvent （Graduate School of Science Tohoku Univ.）*Daiki Suzuoka，Hideaki Takahashi，Shintaro Kimura，Akihiro Morita |
| 11:06-11:24 | 3E08 |
DFT-MD free energy calculation study on reduction of electrolytes and additives in Li ion batteries （WPI-MANA, NIMS1，ESICB, Kyoto Univ.2，PRESTO & CREST, JST3，FUJIFILM Corporation4）*Yoshitaka Tateyama1, 2, 3，Keisuke Ushirogata1, 4，keitaro Sodeyama1, 2，Yukihiro Okuno1, 4 |
| 11:24-11:42 | 3E09 |
Role of structual change of liquid interface along with ion transport （Graduate School of Scienec, Tohoku Univ.）*Nobuaki Kikkawa，Akihiro Morita |
| 11:42-12:00 | 3E10 |
Nuclear quantum effects at the water-vapor interface （Max-Planck Institute for Polymer Research）*Yuki Nagata |
Thursday Afternoon Sessions(September 26, starting at 15:00)
[Gas phase]
| 15:00-15:18 | 3A11 |
Simultaneous generation of DUV and VUV ultrashort pulses by filamentation four-wave mixing and its application to time-resolved photoelectron imaging （Graduate School of Science, Kyoto Univ.1，JST/CREST2）*Takuya Horio1, 2，Roman Spesyvtsev1, 2，Toshinori Suzuki1, 2 |
| 15:18-15:36 | 3A12 |
Time-resolved photoelectron spectroscopy of 1,3-butadiene using a high harmonic （Graduate School of Engineering, Hokkaido Univ.）Ayumu Makida，Hironori Igarashi，Takehisa Fujiwara，*Taro Sekikawa |
| 15:36-15:54 | 3A13 |
A theoretical study of photoemission from vibrational dynamics （Graduate School of Arts and Sciences, Univ. Tokyo1，Goethe Universitat Frankfurt2）*Yasuki Arasaki1，Yuta Mizuno1，Simona Scheit2，Kazuo Takatsuka1 |
| 15:54-16:12 | 3A14 |
Quantum localization of coherent π-electron rotations in a nonplanar chiral aromatic molecule （Graduate School of Science､Tohoku University1，National Chiao Tung University2，Institute of Atomic and Molecular Sciences, Academia Sinica3）Masahiro Yamaki2，Hirofumi Mineo3，Yoshiaki Teranishi2，*Yuichi Fujimura1, 2, 3，Hiroki Nakamura2，Shen H. Lin2, 3 |
| 16:30-16:48 | 3A16 |
nonradiative relaxation pathway and dynamics of coumaric acid derivative （Graduate School of Science, Hiroshima Univ.1，Institute for Molecular Science2）*Yasunori Miyazaki1，Daiki Shimada1，Yoshiya Inokuchi1，Takayuki Ebata1，Masahiro Ehara2 |
| 16:48-17:06 | 3A17 |
Study on nonradiative excited-state dynamics including the possibility of isomerization of p-methoxy methyl cinnamate （Graduate School of Science, Hiroshima Univ.）*Kanji Yamamoto，Yasunori Miyazaki，yoshiya inokuchi，Takayuki Ebata |
| 17:06-17:24 | 3A18 |
Theoretical study of photoisomerization reaction between 1,3-cyclohexadiene and hexatriene in both of vapor and liquid phase （The Faculty of Science and Technology, Sophia Univ.1，Individual2）*Ayumi Ohta1，Osamu Kobayashi1，Toshimasa Ishida2，Shinkoh Nanbu1 |
| 17:24-17:42 | 3A19 |
Elucidation of the O-N bond cleavage pathway of CH3ONO by product state correlation （Graduate School of Science, Hiroshima Univ.）*Shu Masumoto，Yasunori Kohge，Katsuyoshi Yamasaki，Hiroshi Kohguchi |
| 17:42-18:00 | 3A20 |
Collision energy dependence and isotope effects of the O(1D2) + CH4 → OH + CH3 reaction （Molecular Reaction dynamics Researh Team, RIKEN1，Graduate School of Science, Hiroshima Univ.2，Graduate School of Science, Kyoto Univ.3）*Yoshihiro Ogi1，Hiroshi Kohguchi2，Toshinori Suzuki1, 3 |
| 18:00-18:18 | 3A21 |
Dynamics of intracluster reaction studied by time-sliced ion imaging: NO formation from N2O clusters. （Graduate School of Material Science, University of Hyogo）*Kenji Honma |
[Surface/Interface]
| 15:00-15:18 | 3B11 |
Ultrafast dynamics of hydrogen bond network terminated at the water surface revealed by two-dimensional heterodyne-detected vibrational sum frequency generation （Mol. Spectrosc. Lab, RIKEN）*Shoichi Yamaguchi，Singh Prashant，Satoshi Nihonyanagi，Tahei Tahara |
| 15:18-15:36 | 3B12 |
Do hydrated electrons exist at the air/water interface?: Investigation by time-resolved HD-VSFG spectroscopy （Molecular Spectroscopy Laboratory, RIKEN1，School of Science, Univ. of Tokyo2）*Korenobu Matsuzaki1, 2，Satoshi Nihonyanagi1，Shoichi Yamaguchi1，Takashi Nagata2，Tahei Tahara1 |
| 15:36-15:54 | 3B13 |
Formation study on highly-oriented molecular nanosheets assembled at air/liquid interfaces （N2RC, Osaka Pref. Univ.1，JST-PRESTO2，ESRF3）*Rie Makiura1, 2，Oleg Konovalov3 |
| 15:54-16:12 | 3B14 |
Structure and stability of phospholipid monolayers under extremely low-level ozone （CRC, Hokkaido Univ.）*Lin Qiao，Aimin Ge，Masatoshi Osawa，Shen Ye |
| 16:12-16:30 | 3B15 |
Molecular dynamics study of surface structure and sum frequency generation spectra at water/vapor and ice/vaport interfaces: effect of charge transfer （Graduate School of Science, Tohoku Univ.）*Tatsuya Ishiyama，Hideaki Takahashi，Akihiro Morita |
| 16:48-17:24 | 3B17 |
[Young Scientist Award Talk]Development of heterodyne-detected VSFG spectroscopy and elucidation of structure and dynamics of interfacial water （RIKEN）*Satoshi Nihonyanagi |
| 17:24-17:42 | 3B19 |
Long-range specific ion-ion interactions at the gas-liquid interfaces （The Hakubi Center, Kyoto Univ.1，RISH, Kyoto Univ.2，PRESTO, JST3）*Shinichi Enami1, 2, 3 |
| 17:42-18:00 | 3B20 |
First-principles MD simulation of water/zwitterionic lipid interfaces （Max Planck Institute for Polymer Research1，Department of Physics, Johannes-Gutenberg University2）*Tatsuhiko Ohto1，Sulpizi Marialore2，Bonn Mischa1，Yuki Nagata1 |
| 18:00-18:18 | 3B21 |
Model of the photo-excited process at the material interface （Toyohashi Univ. of Tech.）*Kazuhisa Nishi |
[Solid phase]
| 15:00-15:18 | 3C11 |
Visible light and x-ray induced phase transitions in a Fe-Co tetranuclear complex （University of Tsukuba1，KEK2）*Yoshihiro Sekine1，Masayuki Nihei1，Reiji Kumai2，Hironori Nakao2，Youichi Murakami2，Hiroki Oshio1 |
| 15:18-15:36 | 3C12 |
Study on Fe(II) spin-crossover complexes having a tris(2-pyridyl)methanol ligand （UEC）*Masaru Yamasaki，Naoki Hirosawa，Takayuki Ishida |
| 15:36-15:54 | 3C13 |
Development of spin-crossover iron(II) complexes by using the intermolecular interaction of aromatic compounds （UEC）*Naotaka Mochida，Takayuki Ishida |
| 15:54-16:12 | 3C14 |
Structure and physical properties of spin crossover multifunctional complexes introducing intermolecular interactions between cation and anion. （Kobe Univ.1，CSREA2，MPRC3，ISSP4，Keio Univ.5）*Kappei Fukuroi1，Kazuyuki Takahashi1，Takahiro Sakurai2，Hitoshi Ohta3，Hatsumi Mori4，Takashi Yamamoto5，Yasuaki Einaga5 |
| 16:30-17:06 | 3C16 |
[Young Scientist Award Talk]Functional properties of molecular clusters based on solid-state electrochemistry （Graduate School of Science, Nagoya Univ.）*Hirofumi Yoshikawa |
| 17:06-17:24 | 3C18 |
Seamless magnetic measurements for magnetite in solid-state electrochemistry （Graduate School of Science, Nagoya Univ.1，RCMS2，CREST3）*Kantaro Morita1，Tetsuya Yamada2, 3，Hirofumi Yoshikawa1，Kunio Awaga2, 3 |
| 17:24-17:42 | 3C19 |
Studies on nanocarbon/polyoxometalate nanohybrid materials possessing both interface electrical double layers and chemical redox reactions （Graduate School of Science, Nagoya Univ.1，RCMS, Nagoya Univ.2，CREST3）*Keita Kume1，Tetsuya Yamada2, 3，Hirofumi Yoshikawa1，Kunio Awaga2, 3 |
| 17:42-18:00 | 3C20 |
Core@shell hexacyanoferrate nanoparticles as Li-ion cathode materials （AIST1，University of Florida2）*Masashi Okubo1，Daisuke Asakura1，Yoshifumi Mizuno1，Carissa H. Li2，Daniel R. Talham2 |
| 18:00-18:18 | 3C21 |
Analysis of sodium ion insertion into cyanide-bridged coordination polymers exhibiting phase separation （AIST1，The Univ. of Tokyo2）*Satoshi Kajiyama1，Yoshifumi Mizuno1，Masashi Okubo1, 2，Daisuke Asakura1，Eiji Hosono1，Haoshen Zhou1, 2，Shin-ichi Nishimura2，Atsuo Yamada2 |
[Biomolecules]
| 15:00-15:36 | 3D11 |
[Invited Talk]High-resolution filming of proteins in action by high-speed AFM （Dept. of Physics, Kanazawa Univ.）*Toshio Ando |
| 15:36-15:54 | 3D13 |
A small angle X-ray scattering study on the intermolecular interaction of globular proteins （Graduate School of Advanced integration Science, Chiba University1，Department of Chemistry, Okayama University2，Department of Biotechnology, Toyama Prefectural University3，Department of Pharmacy, Ritsumeikan University4）*Hiroshi Imamura1，Takeshi Morita1，Tomonari Sumi2，Yasuhiro Isogai3，Minoru Kato4，Keiko Nishikawa1 |
| 15:54-16:12 | 3D14 |
Ultrafast hydrogen-bonding dynamics of photoactive yellow protein in the excited state （Molecular Spectroscopy Laboratory, RIKEN1，Graduate School of Materials Science, NAIST2）*Hikaru Kuramochi1，Satoshi Takeuchi1，Kento Yonezawa2，Hironari Kamikubo2，Mikio Kataoka2，Tahei Tahara1 |
| 16:30-16:48 | 3D16 |
Activation mechanism of BLUF protein based on femtosecond transient absorption measurements （Molecular Spectroscopy Lab., RIKEN1，Center for Biological Resources and Informatics, Tokyo Institute of Technology2）*Tomotsumi Fujisawa1，Satoshi Takeuchi1，Shinji Masuda2，Tahei Tahara1 |
| 16:48-17:06 | 3D17 |
Conformational dynamics of the N-terminal helical region of the phototropin1 LOV2 domain （Graduate School of Science, Kyoto Univ.1，Graduate School of Science, Osaka Prefecture Univ.2）*Kimitoshi Takeda1，Yusuke Nakasone1，Kazunori Zikihara2，Satoru Tokutomi2，Masahide Terazima1 |
| 17:06-17:24 | 3D18 |
Crowding effect on the reaction dynamics of Phototropin 1 LOV2 domain （Kyoto Univ.1，Osaka Prefecture Univ.2）*Tomoyuki Yoshitake1，Yusuke Nakasone1，Tsuguyoshi Toyooka1，Kazunori Zikihara2，Satoru Tokutomi2，Masahide Terazima1 |
| 17:24-17:42 | 3D19 |
Observation of protein structural dynamics in photointermediates of halorhodopsin （Graduate School of Science, Osaka Univ.1，Nagoya Institute of Technology2）*Misao Mizuno1，Yumi Shimoo1，Hideki Kandori2，Yasuhisa Mizutani1 |
| 17:42-18:00 | 3D20 |
Study on the molecular mechanism of dissociation dynamics of UV-B sensor protein UVR8 （Graduate School of Science, Kyoto Univ.1，Scripps research institute2，University of Glasgow3）*Takaaki Miyamori1，Yusuke Nakasone1，Kenichi Hitomi2，John Christie3，Elizabeth Getzoff2，Masahide Terazima1 |
| 18:00-18:18 | 3D21 |
Development of a rapid buffer-exchange system for time-resolved ATR-FTIR spectroscopy （Inst. Mol. Sci.1，SOKENDAI2，UNISOKU3）*Yuji Furutani1, 2，Tetsunari Kimura1, 2，Kido Okamoto3 |
[Theory/Calculation]
| 15:00-15:18 | 3E11 |
Analysis of the Relation between the Properties of the Vibrational Modes of the Peptide Group and the Structural Characteristics of Halogen Bonding （Shizuoka Univ.）*Hajime Torii |
| 15:18-15:36 | 3E12 |
Tunneling and donor-acceptor binding accelerate antioxidant reaction: hydrogen transfer reaction of ubiquinol and vitamin E. （Graduate School of Science, Kyoto Univ.）*Taichi Inagaki，Takeshi Yamamoto |
| 15:36-15:54 | 3E13 |
3D-RISM-SCF analysis of the solvent effect on the electronic structures of merocyanines （Graduate School of Sciences, Kyushu Univ.）*Yuichi Tanaka，Norio Yoshida，Haruyuki Nakano |
| 15:54-16:12 | 3E14 |
Development of LR-RISM-SEDD by combining linear response approximation and new fitting approach of electrostatic potential （WPI-ITbM, Nagoya Univ.）*Daisuke Yokogawa |
| 16:12-16:30 | 3E15 |
Theoretical study of chemical reactions with fragment-based methods （NRI, AIST1，Tokyo Inst. Tech.2，Kobe U.3）*Dmitri Fedorov1，Hiroya Nakata2，Kazuo Kitaura3 |
| 16:48-17:06 | 3E17 |
An Approach from computational chemistry to the interpretation of the rotation and vibration spectra of NO3 molecule （Faculty of Science, Ochanomizu University1，National Institute of Advanced Industrial Science and Technology (AIST)2）*Tsuneo Hirano1, 2，Umpei Nagashima2 |
| 17:06-17:24 | 3E18 |
Computational molecular spectroscopy of ZnOH: comparison with FeOH and CsOH （National Institute of Advanced Industrial Science and Technology (AIST)1，Bergische University2，Ochanomizu University3）*Umpei Nagashima1，Jensen Per2，Tsuneo Hirano3, 1 |
| 17:24-17:42 | 3E19 |
Theoretical extension and hybrid parallelization of DC-DFTB theory （IMS1，RISE, Waseda Univ.2，Waseda Univ.3，JST-CREST4，Nagoya Univ.5）*Hiroaki Nishizawa1, 2，Hiromi Nakai2, 3, 4，Irle Stephan5 |
| 17:42-18:18 | 3E20 |
[Invited Talk]Electronic state theory for chemical understanding （Graduate School of Advanced Science and Engineering, Waseda University1，Research Institute for Science and Engineering, Waseda University2，CREST, Japan Science and Technology Agency3，ESICB, Kyoto University4）*Hiromi Nakai1, 2, 3, 4 |