The 12th Annual Meeting of Japan Society for Molecular Science

Oral Sessions

Monday, September 10 (Starting at 9:08)

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.

Monday Morning Sessions(September 10, starting at 9:08)

Venue A [Gas phase]

9:08-9:26 1A01High-Resolution Infrared Spectroscopy of Protonated Oxygen Molecule in a Cold Trap
(Graduate School of Science, Hiroshima Univ.1,AIST2,Physics Institute I, Cologne University3) *Hiroshi Kohguchi1, Koichi Yamada2, Pavol Jusko3, Stephan Schlemmer3, Oskar Asvany3
9:26-9:44 1A02The ortho-to-para ratio of H2O molecules photodesorbed from ice made from para-water monomers
(Institute of Low Temperature Science, Hokkaido Univ.) *Tetsuya Hama, Akira Kouchi, Naoki Watanabe
9:44-10:02 1A03Photoelectron spectroscopy of photoionization of liquid methanol and solvated electron formation
(Graduate School of Science, Kyoto U.) Ayano Hara, Yoichi Yamamoto, *Toshinori Suzuki
10:02-10:20 1A04Photoelectron asymmetry parameter of degenerate orbitals: The role of time-reversal symmetry
(Health Sciences University of Hokkaido) *Yoshi-ichi Suzuki
10:20-10:30
Break
10:30-10:48 1A05femutosecond Laser-field Fourier synthesis by quantum control of molecular tunneling ionization
(AIST) *Hideki Ohmura, Tsuyoshi Yoshida, Naoaki Saito
10:48-11:06 1A06Association reaction of gaseous C6H14 in femtosecond laser filament: Laser-field parameter dependence
(Grad. Sc. of Sci., Nagoya Univ.1,RCMS, Nagoya Univ.2) *Akitaka Matsuda1, Kasumi Hashigaya1, Misato Sawaki1, Akiyoshi Hishikawa1,2
11:06-11:24 1A07Circularly polarized high harmonic generation from chiral molecules
(Graduate School of Engineering, Hokkaido Univ.) Yoichi Harada, Eisuke Haraguchi, Keisuke Kaneshima, *Taro Sekikawa
11:24-11:42 1A08Electron-induced dissociative ionization of O2 studied by electron-ion coincidence spectroscopy
(IMRAM, Tohoku Univ.) *Noboru Watanabe, So Yamada, Masahiko Takahashi
11:42-12:00 1A09Atomic momentum spectroscopy of rare gas atoms and diatomic molecules: Towards visualization of atomic motions during a chemical reaction
(IMRAM, Tohoku Univ.) *Masakazu Yamazaki, Yuichi Tachibana, Masahiko Takahashi

Venue B [Clusters/particles/nanostructures]

9:08-9:26 1B01Hot Electron Transfer and Exciton Relaxation in Semiconductor Nanocrystals
(School of Science and Tech., Kwansei Gakuin Univ.1,Graduate School of Science, Kyoto Univ.2) *Naoto Tamai1, Tomoki Okuhata1, Tetsuro Katayama1, Hyeon-deuk Kim2
9:26-9:44 1B02Site-selective direct laser writing of gold nanostructure on silver nanowire
(Katholieke Universiteit Leuven1,Toray Research Center2,RIES, Hokkaido University3) *Shuichi Toyouchi1, Yasuhiko Fujita2, Hiroshi Ujii1,3
9:44-10:02 1B03Spatio-temporal characteristics of plasmons induced in a gold triangular mesoplate
(Waseda Univ.) Keisuke Imaeda, Seiju Hasegawa, *Kohei Imura
10:02-10:20 1B04Gold Ultrathin Nanorods with Well-defined Structures: Formation Mechanism and Localized Surface Plasmon Resonance
(Department of Chemistry, School of Science , The University of Tokyo1,SICB , Kyoto University2,JST CREST3,Graduate School of Advanced Science and Engineering , Waseda University4) Ryo Takahata1, Seiji Yamazoe1,2,3, Kiichirou Koyasu1,2, Kohei Imura4, *Tatsuya Tsukuda1,2
10:20-10:30
Break
10:30-10:48 1B05Interface and Electronic Structure of Single-Molecule Junctions under Mechanical Perturbation
(Graduate School of Science, Tokyo Tech.) *Shintaro Fujii, Yuji Isshiki, Manabu Kiguchi
10:48-11:06 1B06Time-, temperature-, and OPIG-DC voltage- resolved proton transfer reactions of bimolecular Ions
(Graduate School of Nanobioscience, Yokohama City Univ.) *Shinji Nonose, Yu Usui, Hoshiyuri Oji, Ryusuke Tanabe, Satoko Kanamori
11:06-11:24 1B07Real-time trace of the self-assembly process of a Pd2L4 cage complex
(Graduate School of Arts and Sciences, The University of Tokyo1,Department of Molecular Engineering, Kyoto University2,ESICB, Kyoto University3) *Satoshi Takahashi1, Yuya Sasaki1, Hirofumi Sato2,3, Shuichi Hiraoka1
11:24-11:42 1B08Ligand environments and optical properties of diphosphine-ligated gold clusters
(Fac. of Env. Earth Sci., Hokkaido Univ.1,Grad. Sch. of Env. Sci., Hokkaido Univ.2) *Yukatsu Shichibu1,2, Yuri Ogawa2, Mizuho Sugiuchi2, Katsuaki Konishi1,2

Venue C [Biomolecules]

10:48-11:06 1C06Diffusion property of lipids in a supported lipid bilayer studied by two-dimensional fluorescence lifetime correlation spectroscopy
(Graduate School of Science and Technology, Saitama Univ.) *Takuhiro Otosu, Shoichi Yamaguchi
11:06-11:24 1C07Three-dimensional fluorescence correlation spectroscopy: Independent component analysis of temporal fluctuation of fluroescence signals
(Mol. Spectrosc. Lab., RIKEN1,RAP, RIKEN2) *Kunihiko Ishii1,2, Miyuki Sakaguchi1, Tahei Tahara1,2
11:24-12:00 1C08[Young Scientist Award Talk]Time/space-resolved vibrational spectroscopic approaches to elucidate complex molecular systems: From cells to hybrid photovoltaic materials
(Kwansei Gakuin Univ) *Shinsuke Shigeto

Venue D [Solid phase]

9:08-9:26 1D01Electronic states of self-dope type organic conductors, TED
(IMS1,SOKENDAI2,NIMS3) Mizue Asada1, *Toshikazu Nakamura1,2, Yuka Kobayashi3
9:26-9:44 1D02Development of Triptycene-based MOFs with special topology and electronic properties
(Department of Chemistry, Nagoya University) *Zhongyue Zhang, Kunio Awaga
9:44-10:02 1D03Packing structures and electron transport properties of dianionic naphthalendiimide derivatives
(Graduate School of Engineering, Tohoku Univ.1,IMRAM, Tohoku Univ.2,Graduate School of Engineering, Kyoto Univ.3) *Ayumi Kawasaki1, Takashi Takeda1,2, Norihisa Hoshino1,2, Wakana Matsuda3, Shu Seki3, Tomoyuki Akutagawa1,2
10:02-10:20 1D04Crystal structures and physical properties of molecule based honeycomb structures formed by triptycene derivatives annulated with benzoquinone skeletons
(Department of Chemistry, Nagoya Univ.1,School of Chemistry, The University of Edinburgh2,Department of Chemistry, The Catholic University of Korea3,Department of Materials Science and Engineering, Seoul National University4,Department of Physics, Nara Women's University5) *Yoshiaki Shuku1, Amy Qu2, Chang seok Hyun3, Young jun Ryu3, Byeong-kwan An3, Ji eon Kwon4, Soo young Park4, Masahisa Tsuchiizu5, Kunio Awaga1
10:20-10:30
Break
10:30-10:48 1D05Dielectric Properties of Polyoxometalate Molecules
(Department of Chemistry, Hiroshima University1,Institute for Advanced Materials Research, Hiroshima University2,Chirality Research Center, Hiroshima University3,Research Institute for Nanodevice and Bio Systems, Hiroshima University4) *Sadafumi Nishihara1,2,3, Tomoha Hayase1, Takuya Date1, Rio Maruyama1, Chisato Kato1, Kseniya Maryunina1,3, Katsuya Inoue1,2,3, Tetsuo Tabei4, Tadashi Sato4, Shinji Yamada4, Kazushi Okada4, Shin Yokoyama4
10:48-11:06 1D06Development of plastic/ferroelectric crystals
(Faculty of Science, Hokkaido Univ.1,Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.2) *Jun Harada1,2, Naho Yoneyama2, Seiya Yokokura1, Yukihiro Takahashi1,2, Tamotsu Inabe1,2
11:06-11:24 1D07Ferroelectricity of bowl-shaped trithiasumanene derivatives
(Graduate School of Engineering, Tohoku Univ.1,IMRAM, Tohoku Univ.2,Graduate School of Science and Engineering, Saitama Univ.3) *Jianyun Wu1, Takashi Takeda1,2, Norihisa Hoshino1,2, Masaya Koyama3, Shunsuke Furukawa3, Masaichi Saito3, Tomoyuki Akutagawa1,2
11:24-11:42 1D08Pyroelectric detection of spontaneous electric polarization in dinuclear metal-complex [(Fe(RR-cth)(Co(SS-cth)(dhbq)](PF6)3 associated with spin-charge coupling
(Okayama Univ. of Sci.1,Dpt. of Chem, Kobe Univ.2,IMCE, Kyushu Univ.3) *Kaoru Yamamoto1, Kayo Ryugo1, Shinji Kanegawa3, Kazuyuki Takahashi2, Osamu Sato3
11:42-12:00 1D09Ferroelectric Properties of Dialkylterephthalamide Derivatives
(Graduate School of Engineering, Tohoku Univ.1,IMRAM, Tohoku Univ.2) *Moeko Kawana1, Takashi Takeda1,2, Norihisa Hoshino1,2, Tomoyuki Akutagawa1,2

Venue E [Theory/Calculation]

11:06-11:24 1E07Quantum control of molecular systems by Floquet engineering
(Institute for Molecular Science) *Thanh phuc Nguyen, Akihito Ishizaki
11:24-11:42 1E08Non-Markovian quantum-classical ratchet for ultrafast long-range electron-hole separation in condensed phases
(Institute for Molecular Science1,The Graduate University for Advanced Studies2) *Akihito Kato1, Akihito Ishizaki1,2
11:42-12:00 1E09[Withdraw]

Monday Afternoon Sessions(September 10, starting at 14:40)

Venue A   [Gas phase]

14:40-15:16 1A10[Invited Talk]Molecular structure and excited-state dynamics by high-precision and high-resolution laser spectroscopy
(Graduate School of Science, Kyoto Univ.) *Masaaki Baba
15:16-15:34 1A12Microwave spectroscopy of tropolone-d: Determination of the tunnelling splitting.
(Faculty of Science, Kyushu University1,International Center for Space Weather Science, Kyushu University2) *Keiichi Tanaka1,2, Naoko Matsumoto1, Sou Matsushita1, Kensuke Harada1,2
15:34-15:52 1A13The asymmetric bending mode, nu4, of the NO3 X 2A2' state
(Graduate School of Information Sciences, Hiroshima City Univ.) *Masaru Fukushima, Takashi Ishiwata
15:52-16:10 1A14Hyperfine splitting in the electronic transition of NO2 radical
(Kobe Univ.1,Kyoto Univ.2) *Shunji Kasahara1, Takumi Yoshizawa1, Michihiro Hirata1, Kohei Tada2
16:10-16:20
Break
16:20-16:38 1A15Molecular chirality in 1,4-pentadiene
(Graduate Univ. Advanced Studies1,Sophia Univ.2) *Eizi Hirota1, Nobuhiko Kuze2, Yoshiyuki Kawasima2
16:38-16:56 1A16Studies of the SH torsional vibration in n-butanethiol and iso-butanethiol by the rotational spectra
(Kanagawa Institute of Technology1,Graduate Univ. Advanced Studies2) *Yoshiyuki Kawashima1, Eizi Hirota2
16:56-17:14 1A17Development of an analysis considering effects of intermolecular vibrations and its application to H2-HCl
(Graduate School of Science and Technology, Gunma Univ.) Keisuke Asaka, *Yoshihiro Sumiyoshi
17:14-17:32 1A18Detection of Absorption Lines of CH3CN in Envelop of Galactic Center SgrB2(M)
(Tokyo University of Science1,Nihon University2,Sophia University3,National Astronomical Observatory of Japan4) *Mitsunori Araki1, Shuro Takano2, Yoshiaki Minami1, Takahiro Oyama1, Nobuhiko Kuze3, Kazuhisa Kamegai4, Koichi Tsukiyama1
17:32-17:50 1A19Wave packet imaging-based broadband, high-resolution spectroscopy of nitrogen dimer
(School of Science, Tokyo Tech1,School of Science, Kitasato Univ.2,Graduate school of Science, Kitasato Univ.3) *Kenta Mizuse1, Tomomi Murai1, Hikaru Sato3, Genki Ishibashi1, Haruki Ishikawa2, Yasuhiro Ohshima1

Venue B  [Clusters/particles/nanostructures]

14:40-14:58 1B10Au-π interaction in diynyl-modified gold cluster
(Graduate School of Environmental Science, Hokkaido Univ.) *Mitsuhiro Iwasaki, Yukatsu Shichibu, Katsuaki Konishi
14:58-15:16 1B11Synthesis of a novel thiolate protected gold cluster Au25(SR)18 with a face-centered cubic structure and its origin
(Grad. Sch. Sci., The Univ. of Tokyo1,Grad. Sch. Sci. Eng., TMU2,ESICB, Kyoto Univ.3,CREST, JST4,Grad. Sch. Sci., Tokyo Univ. Sci.5) *Tsubasa Omoda1, Shinjiro Takano1, Seiji Yamazoe2,3,4, Kiichirou Koyasu1,3, Yuichi Negishi5, Tatsuya Tsukuda1,3
15:16-15:34 1B12Synthesis and characterization of hydride-doped Au superatoms
(School of Science, The University of Tokyo1,ESICB, Kyoto Univ.2) *Shinjiro Takano1, Haru Hirai1, Satoru Muramatsu1, Tatsuya Tsukuda1,2
15:34-15:52 1B13Bottom-up synthesis of novel trimetallic cluster via hydride-doped HPdAu8 superatom
(Graduate School of Science, Univ. Tokyo1,ESICB, Kyoto Univ.2) *Haru Hirai1, Shinjiro Takano1, Tatsuya Tsukuda1,2
15:52-16:10 1B14Temperature dependence of vibrational spectroscopy for thiolate-protected gold nanoclusters: Size dependent ordering behavior of organic-monolayers
(Grad. School Sci. Technol., Keio Univ.1,Faculty of Sci., Tokyo Univ. Sci.2,Keio Inst. Pure Appl. Sci. (KiPAS)3) *Takaho Yokoyama1, Naoyuki Hirata1, Hironori Tsunoyama1, Yuichi Negishi2, Atsushi Nakajima1,3
16:10-16:20
Break
16:20-16:38 1B15Photoexcited state behavior based on dynamic equilibrium of binding-dissociation of ligands on Ag29 cluster
(College of Science, Rikkyo Univ.) *Yoshiki Niihori, Naoya Takahashi, Megumi Suyama, Masaaki Mitsui
16:38-16:56 1B16Multiorder stimulated Raman scattering in colliding droplet
(Gakushuin University) Kosuke Negishi, Shuhei Suzuki, *Jun-ya Kohno
16:56-17:14 1B17DUV-excitation spectroscopy of gas-phase divalent lysozyme ion by use of ion-trap droplet-beam IR-laser ablation
(Gakushuin University) *Norishi Kawauchi, Hiroya Asami, Jun-ya Kohno
17:14-17:32 1B18Singlet fission dynamics in amorphous rubrene thin films embedded in optical microcavities
(Graduate school of science, Kyoto Univ.1,Institute for Molecular Science2,JST PRESTO3,Toyota Insititute of Physical and Chemical Research4) *Shota Takahashi1, Kazuya Watanabe1, Toshiki Sugimoto2,3, Yoshiyasu Matsumoto4
17:32-17:50 1B19UV polarizing film with linear polyyne molecules
(Department of chemistry, Kindai Univ.1,Division of Materials Science, Nara Institute of Science and Technology2) *Ryoske Sata1, Yusuke Morisawa1, Hal Suzuki1, Tomonari Wakabayashi1, Miho Hatanaka2

Venue C  [Biomolecules]

14:40-14:58 1C10Surface-enhanced Infrared Absorption Spectroscopy of Nitric Oxide Reductase under Potential Control
(Faculty of Environmental Earth Science1,Graduate School of Environmental Science2,RIKEN SPring-8 Center3) *Masaru Kato1,2, Shogo Nakagawa2, Yuya Masuda2, Takehiko Tosha3, Kou Nakata1,2, Ichizo Yagi1,2
14:58-15:16 1C11Reaction intermediate analysis of P450nor using time-resolved IR spectroscopy and freeze-trap X-ray crystallography
(Univ. Hyogo1,RIKEN SPring-8 Center2,RIKEN CLST3,Univ. Liverpool4,Univ. Tokyo5) *Takashi Nomura1, Takehiko Tosha2, Hiroshi Sugimoto2, Tamao Hisano3, Raika Yamagiwa1, Chai Gopalasingam4, Keitaro Yamashita5, Kunio Hirata2, Masaki Yamamoto2, Yoshitsugu Shiro1, Minoru Kubo1
15:16-15:34 1C12Structural determination of intrinsically disordered protein α-synuclein partial peptide-small molecule ligand complex by electrospray / cold ion trap laser spectroscopy
(Laboratory for Chemistry and Life Science, Tokyo Institute of Technology.1,Graduate School of Life Science and Technology, Tokyo Institute of Technology. 2,Institute for Theoretical Medicine, Inc.3) *Mizuki Tabata1,2, Atsushi Yoshimori3, Hirohumi Nakano1, Shun-ichi Ishiuchi1, Masaaki Fujii1
15:34-15:52 1C13Structural role of Q114 in monkey green sensitive visual pigment for chloride ion binding
(Grad. Sch. Eng., Nagoya Inst. Tech.1,Pri. Res Inst. Kyoto Univ.2) *Kota Katayama1, Shunta Nakamura1, Hiroo Imai2, Hideki Kandori1
15:52-16:10 1C14Chromophore structure in an inactive state of a novel photosensor Opn5L1 of vertebrates
(Graduate School of Science, Osaka University1,Graduate School of Medicine, Dentistry and Pharmaceutical Sciences, Okayama University2,Graduate School of Science, Kyoto University3,Ritsumeikan University4,Kobe Pharmaceutical University5) *Misao Mizuno1, Yasuhisa Mizutani1, Keita Sato2, Hideyo Ohuchi2, Takahiro Yamashita3, Kazumi Sakai3, Yasushi Imamoto3, Yoshinori Shichida3,4, Yumiko Yamano5, Akimori Wada5
16:10-16:20
Break
16:20-16:38 1C15Complex formation dynamics of blue light sensor protein PYP and its downstream protein PBP
(Graduate School of Science, Kyoto Univ.1,Graduate School of Science, Gakushuin Univ.2,Graduate School of Material Science, NAIST3) *Suhyang Kim1, Yusuke Nakasone1, Akira Takakado2, Yoichi Yamazaki3, Hironari Kamikubo3, Masahide Terazima1
16:38-16:56 1C16The importance of C-terminal region on the molecular function of blue light sensor protein PixD
(Graduate School of Science, Kyoto Univ.) *Shunrou Tokonami, Yusuke Nakasone, Masahide Terazima
16:56-17:14 1C17Unraveling the excited-state structural dynamics of LSSmOrange protein through time-resolved impulsive stimulated Raman spectroscopy
(Molecular Spectroscopy Laboratory, RIKEN, Japan1,RIKEN Center for Advanced Photonics, RIKEN, Japan2,Laboratory of Biomolecular Network Dynamics, Biochemistry, Molecular and Structural Biology Section, Department of Chemistry, KU Leuven, Belgium.3,Laboratory of Molecular Imaging and Photonics, Department of Chemistry, KU Leuven, Belgium4,Department of Biomolecular Science, Faculty of Science, Toho University5,JST PRESTO, Japan6) *Pardeep Kumar1,2, David manuel Rantasa3, Eduard Fron4, Haruko Hosoi5, Hikaru Kuramochi1,2,6, Satoshi Takeuchi1,2, Hideaki Mizuno3, Tahei Tahara1,2
17:14-17:32 1C18Comparison of viscosity distribution between artificial membranes and the plasma membrane with picosecond time-resolved fluorescence spectroscopy
(Faculty of Science, Gakushuin University1,Graduate School of Pharmaceutical Sciences, Kyoto University2) *Haruna Hayashi1, Mitsuo Kimura1, Naoto Takada2, Hye-won Shin2, Koichi Iwata1
17:32-17:50 1C19Construction of lateral domains incorporating metal complex lipids and metal ions in lipid bilayers
(Graduate School of Science and Technology, Kumamoto Univ.1,Graduate School of Science, Kyushu Univ.2) *Ryo Ohtani1, Masanao Kinoshita2, Nobuaki Matsumori2, Shinya Hayami1

Venue D  [Solid phase]

14:40-14:58 1D10Ambipolar Organic Field-Effect Transistors based on various Metal Complexes
(Tokyo Tech) *Toshiki Kitamori, Dongho Yoo, Kodai Iijima, Takehiko Mori
14:58-15:16 1D11Physical properties and field-effect-transistor performances of benzodipyrrolidone derivatives containing quinoidal structure
(School of Materials and Chemical Technology, Tokyo Tech) *Akihiro Kohara, Tsukasa Hasegawa, Minoru Ashizawa, Hidetoshi Matsumoto
15:16-15:34 1D12Carrier charge polarity in mixed-stack charge-transfer crystals of oligothiophene with tetracyanoquinodimethane
(Department of Materials Science and Engineering, Tokyo Tech) *Ryonosuke Sato, Tadashi Kawamoto, Takehiko Mori
15:34-15:52 1D13Magnetoconductance Effect of Photocurrent and EDMR Measurement on Vacuum Vapor Deposition Films of Weak Charge-Transfer Complexes
(Graduate School of Science, Osaka City Univ.1,Graduate School of Engineering, Osaka City Univ.2) *Shogo Hagi1, Ken Kato1, Masumi Hinoshita1, Eiji Shikoh2, Yoshio Teki1
15:52-16:10 1D14Ambipolar transistors based on charge-transfer complexes of perylene and DCNQI derivatives
(School of Materials and Chemical Technology, Tokyo Tech) *Ryo Sanada, Dongho Yoo, Ryonosuke Sato, Koudai Iijima, Tadashi Kawamoto, Takehiko Mori
16:10-16:20
Break
16:20-16:56 1D15[Invited Talk]Switchable molecular crystals
(Institute for Materials Chemistry and Engineering, Kyushu Univ.) *Osamu Sato
16:56-17:14 1D17Crystal structure and physical properties of (4,4'-bipyridinium)(dibenzo[24]crown-8)[Ni(dmit)2]
(Graduate School of Environmental Science, Hokkaido Univ.1,Research Institute for Electronic Science, Hokkaido Univ.2,Faculty of Environmental Earth Science, Hokkaido Univ.3) *Yuki Shirakawa1, Simin Li1, Kiyonori Takahashi1,2, Shin-ichiro Noro1,3, Takayoshi Nakamura1,2
17:14-17:32 1D18Photo-Induced Polarization Current in MISIM-Type Photoelectric Conversion Cells
(VBL, Graduate School of Engineering, Nagoya Univ.1,Graduate School of Science, Nagoya Univ.2) *Seiya Yokokura1, Akihiro Tomimatsu2, Michio Matsushita2, Kunio Awaga2

Venue E  [Theory/Calculation]

14:40-14:58 1E10Unveiling electron momentum spectroscopy of Acetone upon 195nm laser excitation by nonadiabatic ab initio molecular dynamics simulation
(IMRAM, Tohoku University1,Department of Chemistry and Materials Sciences, Northwest University2) *Le Yu1,2, Masahiko Takahashi1
14:58-15:16 1E11Photoelectron spectrum of NO2-: SAC-CI gradient study of vibrational-rotational structures
(Quantum Chemistry Research Institute) *Tomoo Miyahara, Hiroshi Nakatsuji
15:16-15:34 1E12Spectroscopy looking into reaction dynamics: H3+ + CO → H2 + HCO+
(Ochanomizu Univ.1,Foundation for Computational Science, FOCUS2,Institute of Theoretical Chemistry, Jilin University3) *Tsuneo Hirano1, Umpei Nagashima2, Hui Li3
15:34-15:52 1E13Computational molecular spectroscopy: dipole moment of a linear triatomic molecule in the ro-vibrationally averaged structure
(Foundation for Computational Science, FOCUS1,Jilin Univ.2,Bergische Univ.3,Ochanimizu Univ.4) *Umpei Nagashima1, Li Hui2, Jensen Per3, Tsuneo Hirano4
15:52-16:10 1E14Developing curvilinear coordinates for VSCF wave function
(Tokyo Metropolitan University1,The Open University of Japan2) *Hibiki Iwase1, Kenro Hashimoto2,1
16:10-16:20
Break
16:20-16:38 1E15Theoretical study on the specific hydration of TMG with QM/MM-MD simulation
(Graduate School of Science, Hiroshima Univ.1,Hiroshima Univ. QuLiS2) *Daiki Fukuhara1,2, Dai Akase1,2, Misako Aida1,2
16:38-16:56 1E16Molecular study of impact fracture of amorphous polymer
(Department of Materials Chemistry, Nagoya Univ.) *Kazushi Fujimoto, Zhiye Tang, Wataru Shinoda, Susumu Okazaki
16:56-17:14 1E17Self-assembly and Host Capability of V-shaped Polyaromatic Amphiphiles Studied by Molecular Dynamics Simulation
(Graduate School of Science, Kyoto Univ.) *Masahiko Taguchi, Yuki Yamamoto, Daichi Tanaka, Shigehiko Hayashi
17:14-17:32 1E18Fast multipole method for highly anisotropic simulation cells
(Center for Computational Science, Graduate School of Engineering, Nagoya Univ.1,Graduate School of Engineering, Nagoya Univ.2,Institute for Molecular Science3) *Noriyuki Yoshii1,2, Yoshimichi Andoh3, Susumu Okazaki2,1
17:32-17:50 1E19The 3-phase equilibrium of argon by a generalized van der Waals equation of state
(Research Center for Computing and Multimedia Studies, Hosei University1,Department of Chemical Science and Technology, Hosei University2) *Yosuke Kataoka1,2