The 12th Annual Meeting of Japan Society for Molecular Science

Oral Sessions

Thursday, September 13 (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.

Thursday Morning Sessions(September 13, starting at 9:08)

Venue A [Gas phase]

9:08-9:26 4A01Gas phase resonance Raman spectroscopy of heme protein by IR-ablation of droplet beam
(Faculty of Science, Gakushuin Univ.) *Hiroya Asami, Norishi Kawauchi, Rina Kawabata, Jun-ya Kohno
9:26-9:44 4A02Theoretical analysis of the πg+πu combination band intensity of linear polyynes by the local CCH bending and the linear response function.
(Graduate School of Science and Technology, Keio Univ.1,Tokyo Institute of Technology2) *Masafumi Tsuyuki1, Yuto Kugaya1, Hideto Kanamori2, Satochi Yabushita1
9:44-10:02 4A03Development of a Method for Detection of Atomic Oxygen O(2p 3P) with Vacuum Ultraviolet Fluorescence Subsequent to Two-Photon Excitation and Its Application to the Study on the Elementary Processes of the Collisions of O(3p 3P).
(Graduate School of Science, Hiroshima Univ.) *Shogo Tendo, Hiroshi Kohguchi, Katsuyoshi Yamasaki
10:02-10:20 4A04Excitation energy dependence in the multi-branched pathways of photoexcited trimetylamine
(Graduate School of Science, Hiroshima Univ.) *Yuuki Onitsuka, Yuki Kadowaki, Katsuyoshi Yamasaki, Hiroshi Kohguchi
10:20-10:30
Break
10:30-10:48 4A05Composition Specific Oxidation Reaction of CunOm+ (n ≤ 5) clusters revealed by Post Heating and by Reaction with Nitric Monoxide
(Graduate School of Arts and Sciences, The University of Tokyo) *Haohao Wang, Ken Miyajima, Satoshi Kudoh, Fumitaka Mafuné
10:48-11:06 4A06Gas phase spectroscopy of a partial peptide of adrenoceptor (SIVSF) - ligands complexes by electrospray / cold ion trap technique -Chiral effect on molecular recognition-
(Laboratory for Chemistry and Life Science, Tokyo Institute of Technology.1,Graduate School of Life Science and Technology, Tokyo Institute of Technology2,U. Paris-Sud3) *Masato Tamura1,2, Tsubasa Sekiguchi1, Anne Zehnacker-rentien3, Shun-ichi Ishiuchi1, Masaaki Fujii1
11:06-11:24 4A07IR-induced change in the hydration structures of hydrated phenol cations trapped in the cold ion trap
(Graduate School of Science, Kitasato University1,School of Science, Kitasato University2) *Hikaru Sato1, Yasutoshi Kasahara2, Haruki Ishikawa2
11:24-11:42 4A08Geometric and electronic structures of dibenzo-24-crown-8 complexes with alkali metal ion under cold gas-phase condition
(Graduate School of Science. Hiroshima Univ.) *Tomoyuki Ujihira, Motoki Kida, Daisuke Shimoyama, Takeharu Haino, Takayuki Ebata, Yoshiya Inokuchi
11:42-12:00 4A09Systematic study of transcis photoisomerization of cinnamate
(Graduate School of Science, Hiroshima Univ.1,Graduate School of BASE, Tokyo Univ. of A & T2,IMS3,SOKENDAI4,Institute for Materials Research, Tohoku Univ.5,Graduate School of Science, Hokkaido Univ.6,JST-Presto7) *Shin-nosuke Kinoshita1, Yasunori Miyazaki1, Yoshiya Inokuchi1, Takayuki Ebata1, Kosuke Inoue1, Keigo Nagamori1, Yuuki Onitsuka1, Hiroshi Kohguchi1, Nobuyuki Akai2, Takafumi Shiraogawa3,4, Masahiro Ehara3,4, Kaoru Yamazaki5, Yu Harabuchi6,7, Satoshi Maeda6, Tetsuya Taketsugu6

Venue B [Clusters/particles/nanostructures]

9:08-9:26 4B01Difference in composition and structure growth observed in Group 5 metal oxide cluster ions studied by ion mobility mass spectrometry
(Graduate School of Science, Tohoku Univ.1,Institute for Excellence in Higher Education, Tohoku Univ.2) *Jenna wen ju Wu1, Ryoichi Moriyama1, Motoyoshi Nakano1,2, Keijiro Ohshimo1, Fuminori Misaizu1
9:26-9:44 4B02Structures of gold-ceria composite cluster cations studied by ion mobility mass spectrometry
(Graduate School of Science, Tohoku Univ.1,Institute for Excellence in Higher Education, Tohoku Univ.2) *Toshiaki Nagata1, Motoyoshi Nakano1,2, Fuminori Misaizu1
9:44-10:02 4B03Development of high-resolution ion trap ion mobility measurement system
(Dept. of Chem., Toho Univ.) Yudai Hoshino, Natsuki Terada, Fumiaki Uchiyama, Reona Miyamoto, *Toshiki Sugai
10:02-10:20 4B04Structure and energetics of protonated dibenzylamine-crown ether pseudo-rotaxane in the gas phase
(Graduate School of Science, Hiroshima Univ.1,Aix-Marseille University2) *Motoki Kida1, Daisuke Shimoyama1, Toshiaki Ikeda1, Ryo Sekiya1, Takeharu Haino1, Takayuki Ebata1, Christophe Jouvet2, Yoshiya Inokuchi1
10:20-10:30
Break
10:30-10:48 4B05Template synthesis of one-dimensional transition-metal chalcogenides inside carbon nanotubes
(Institute for Advanced Research, Nagoya Univ.1,Department of Chemistry, Nagoya Univ.2,National Institute of Advanced Industrial Science and Technology (AIST)3) *Yusuke Nakanishi1,2, Motoki Aizaki2, Masataka Nagata2, Shivani Shukla2, Zheng Liu3, Kazu Suenaga3, Hisanori Shinohara1,2
10:48-11:06 4B06Superatom synthesis through typical metal assembly using dendrimer template
(Lab. Chem. Life Sci., Tokyo Tech.1,JST-ERATO2) *Tetsuya Kambe1,2, Takane Imaoka1,2, Kimihisa Yamamoto1,2
11:06-11:24 4B07Morphological control of Cu nanoparticles by counter anion
(Faculty of Sci. Eng., Chuo University1,Graduate School of Sci. and Eng., Chuo University2) *Masaya Miyagawa1, Akane Shibusawa2, Yoshiki Nishiyama1, Hideki Tanaka1
11:24-11:42 4B08Effects of pendent side chain length and spacing on the mechanical properties of hydrated perfluorosulfonic acid polymer membranes: a molecular dynamics study
(Innovative Technology Research Center, AGC1,Graduate School of Engineering, Nagoya Univ.2) *An-tsung Kuo1,2, Kotono Takeuchi2, Atsushi Tanaka1, Shingo Urata1, Susumu Okazaki2, Wataru Shinoda2

Venue C [Liquid phase]

9:08-9:26 4C01Brownian motion probe for water-alcohol mixture system
(Nihon Univ.) *Kazuki Furukawa, Sumito Kuronuma, Ken Judai
9:26-9:44 4C02Structural fluctuation of supercritical xenon-krypton mixture using anomalous small-angle X-ray scattering method
(Graduate School of Science, Chiba Univ.) *Takeshi Morita, Yoshitada Tanaka, Keiko Nishikawa
9:44-10:20 4C03[Young Scientist Award Talk]Operando observation of liquid and liquid-liquid interface by soft X-ray absorption spectroscopy
(IMS1,SOKENDAI2) *Masanari Nagasaka1,2
10:20-10:30
Break
10:30-10:48 4C05Ultrafast electron transfer reaction of dye in electron-donating solvent probed by vibrational coherence
(Grad. Sch. Eng. Sci., Osaka Univ.1,Princeton Univ.2) *Yusuke Yoneda1, Bryan Kudisch2, Shahnawaz Rafiq2, Margherita Maiuri2, Gregory Scholes2, Hiroshi Miyasaka1
10:48-11:06 4C06Electronic state changes and solvent effect of donor-acceptor connected molecules associated with intramolecular electron transfer
(Graduate School of Science, Osaka University) *Yasukazu Hirao, Gen Nagaoka, Takashi Kubo
11:06-11:24 4C07Molecular dynamics simulation analysis of transient hole-burning spectrum in solution
(Graduate School of Engineering, Nagoya University1,Graduate School of Science, Kyushu University2,Faculty of Science and Technology, Meijo University3) *Tsuyoshi Yamaguchi1, Norio Yoshida2, Katsura Nishiyama3
11:24-11:42 4C08DFTB/MM-RPMD free energy calculations for a proton transfer reaction in solution
(Deprtment of Molecular Engineering, Kyoto Univ.1,ESICB, Kyoto Univ.2) *Kento Kosugi1, Nakano Hirhishi1,2, Hirofumi Sato1,2

Venue D [Solid phase]

9:08-9:26 4D01Investigation of electronic states of polymer electrolyte composed with alkali metal salt and PEG
(Graduate school of Sci. & Eng., Kindai Univ.1,Faculty of Sci. & Eng., Kindai Univ.2,Faculty of Human Development, Koube Univ.3) *Nami Ueno1, Yusuke Morisawa1,2, Harumi Satou3, Tomonari Wakabayashi2,1
9:26-9:44 4D02Superionic conductivity in a porous coordination polymer impregnated with lithium-containing ionic liquids
(Graduate School of Science, Kyoto Univ.1,Kyocera Corporation2) *Yukihiro Yoshida1, Kazuyuki Fujie2, Ryuichi Ikeda1, Hiroshi Kitagawa1
9:44-10:02 4D03Control of Lithium Ion Conduction for [Ni(dmit)2]- Salts Having Ion Channel Structures
(Graduate School of Science, Hiroshima University1,Chirality Research Center, Hiroshima University2,Institute for Advanced Materials Research, Hiroshima University3,Faculty of Environmental Earth Science, Hokkaido University4,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University5,Research Institute for Electronic Science, Hokkaido University6) *Katsuya Ichihashi1, Daisuke Konno1, Kseniya Maryunina1,2, Katsuya Inoue1,2,3, Kazuhiro Toyoda4, Tomoyuki Akutagawa5, Takayoshi Nakamura6, Sadafumi Nishihara1,2,3
10:02-10:20 4D04Exploring Proton Conduction Mechanism in Oxide Crystal by using Infrared Pump-Probe Spectroscopy
(Institute of Industrial Science, The University Tokyo1,School of Arts and Sciences, Tokyo Woman's Christian University2) *Atsunori Sakurai1, Ikki Morichika1, Koji Ando2, Satoshi Ashihara1
10:20-10:30
Break
10:30-10:48 4D05Development of circularly polarized organic light emitting diode using chiral perylenediimide derivatives
(Graduate School of Science and Engineering, Ibaraki Univ.1,National Institute of Advanced Industrial Science and Technology2) *Aoba Kanesaka1, Ryosuke Murata1, Toshiko Mizokuro2, Reiko Azumi2, Akira Yamaguchi1, Hiroyuki Nishikawa1
10:48-11:06 4D06Study on the vibrational Stark effect of polycarbonate thin films
(Waseda University) *Ken Yoshinaka, Yukio Furukawa
11:06-11:24 4D07Intermolecular interaction analysis on Indomethacin/cimetidine 1:1 mixture by infrared spectroscopy
(Tokyo Science University) *Yuta Otsuka, Wataru Kuwashima, Yohsuke Shimada, Satoru Goto
11:24-11:42 4D08Relaxation of photo-mechanical crystals
(IMCE, Kyushu Univ.) *Kenta Goto, Fumito Tani

Venue E [Theory/Calculation]

9:08-9:26 4E01Effect of fluctuation in molecular aggregates on electron dynamics
(RIKEN CCS) *Takehiro Yonehara, Takahito Nakajima
9:26-9:44 4E02Theoretical analysis of non-adiabatic wavepacket dynamics via conical intersection in dissipative environment
(Graduate School of Science, Kyoto Univ.) *Tatsushi Ikeda, Yoshitaka Tanimura
9:44-10:02 4E03Finding of Dynamical Chemical Bonds; Hyper-resonance
(FIFC, Kyoto Univ.) Arasaki Yasuki, *Kazuo Takatsuka
10:02-10:20 4E04A diagrammatic approach to understanding complicated nonadiabatic chemical reaction dynamics
(Graduate School of Arts and Sciences, The Univ. of Tokyo) *Yuta Mizuno, Koji Hukushima
10:20-10:30
Break
10:30-11:06 4E05[Invited Talk]Development of reaction dynamics theories to light-induced ultrafast processes
(Graduate School of Science, Tohoku Univ.) *Hirohiko Kono
11:06-11:24 4E07Can the Gaussian-type orbitals describe the relativistic calculation well? (III) Molecular integrals over the Slater-type orbitals
(no affiliation) *Kazuhiro Ishida
11:24-11:42 4E08development of quantum chemistry program GELLAN
(Graduate School of Science, Tchnology, and Innovation1,Graduate School of System Informatics2) *Uejima Motoyuki1, Seiichiro Tenno1,2
11:42-12:00 4E09Alpha-oscillator-theory-driven-algorithm of computer simulation for new complete predictions of the double-slit phenomenon and the Einstein-Podolsky-Rosen (EPR) measurement by Quantum Electrodynamics (QED)
(Graduate School of Engineering, Kyoto Univ.) *Akitomo Tachibana, Masato Senami

Thursday Afternoon Sessions(September 13, starting at 14:40)

Venue A   [Gas phase]

14:40-14:58 4A10Infrared spectroscopy of alkali metal ion complexes of partial peptide of K+ ion channel by using electrospray cryogenic ion trap technique - Bottom-up approach to ion selectivity
(Laboratory for Chemistry and Life Science, Tokyo Tech1,Institute of Innovative Research, Tokyo Tech2) *Shun-ichi Ishiuchi1, Yuta Sasaki1, Takumi Negoro1, James Lisy2, Masaaki Fujii1
14:58-15:16 4A11Analysis of influence from the second neighbor hydrogen bonds on the strength of water-water hydrogen bond
(Hiroshima Univ.1,Tohoku Univ.2,Keio Univ.3) Dai Akase1, Misako Aida1, Koichi Ohno2, *Suehiro Iwata3
15:16-15:34 4A12Dihydrogen bond in the electronic excited states of various phenol-alkylsilane clusters: Strong interaction between the OH stretching and intermolecular vibrational modes
(Graduate School of Science, Kitasato University1,School of Science, Kitasato University2,Faculty of Science, Shizuoka University3) *Takutoshi Shimizu1, Masaaki Uchida1, Yasutoshi Kasahara2, Yoshiteru Matsumoto3, Haruki Ishikawa2
15:34-15:52 4A13Si-H···H-O type dihydrogen bond in the phenol-alkylsilane clusters: Re-investigation based on the electronic spectra
(Graduate School of Science, Kitasato University1,School of Science, Kitasato University2,Faculty of Science, Shizuoka University3) *Masaaki Uchida1, Takutoshi Shimizu1, Yoshiki Kigure2, Yasutoshi Kasahara2, Yoshiteru Matsumoto3, Haruki Ishikawa2
15:52-16:10 4A14solvation-structural influence on electronic transition shift for benzoxazole clusters
(Fukuoka univ.) *Yuji Yamada, Fumika Mineyama, Yoshinori Nibu

Venue B  [Clusters/particles/nanostructures]

14:40-14:58 4B10X-ray absorption spectroscopy of composite metal oxide clusters involving cerium
(Genesis Res. Inst., Inc.1,Faculty of Science, Kyushu Univ.2) *Tetsuichiro Hayakawa1, Masashi Arakawa2, Shuhei Fujimoto2, Kento Minamikawa2, Satoshi Kono2, Tomoki Kawano2, Kota Ando2, Akira Terasaki1,2
14:58-15:16 4B11Electronic structures of transition-metal-doped silver cluster ions studied by reactivity with oxygen
(Department of chemistry, Kyushu Univ.) *Kento Minamikawa, Masataka Horioka, Tomoki Kawano, Masashi Arakawa, Akira Terasaki
15:16-15:34 4B12Study of O2 adsorption on silver nanocluster ions
(Graduate School of Science, Tohoku Univ.1,Faculty of Science, Tohoku Univ.2,Ayabo Corp.3) *Keijiro Ohshimo1, Masayuki Kadoguchi2, Wataru Iwasaki1, Hiroaki Yamamoto3, Masahide Tona3, Keizo Tsukamoto3, Fuminori Misaizu1
15:34-15:52 4B13Enhancement of methane activation ability of tungsten cluster ions by carbon, nitrogen and oxygen addition
(Genesis Res. Inst., Inc.1,Toyota Tech. Inst.2) *Shinichi Hirabayashi1, Masahiko Ichihashi2
15:52-16:10 4B14Reaction analysis of low-temperature NO reduction on Pt clusters directly bound to Si substrate surface
(Toyota Technological Institute) *Hisato Yasumatsu

Venue C  [Surface/Interface]

14:40-14:58 4C10Characterization of the propagation and wavefront shaping of ultrashort optical pulses through a scattering media
(Molecular Photoscience Research Center, Kobe Univ.1,Graduate School of Science, Kobe Univ.2) *Kaoru Ohta1,2
14:58-15:16 4C11Mechanism of kinetic hydrate inhibitors and the comparison with antifreeze proteins
(RIIS, Okayama Univ.) *Takuma Yagasaki, Masakazu Matsumoto, Hideki Tanaka
15:16-15:34 4C12Formation of iron complex using liquid-phase pulsed laser ablation
(Graduate School of Engineering, Osaka Univ.1,Graduate School of Arts and Sciences, Tokyo Univ.2,College of Science and Engineering, Aoyama Gakuin Univ.3,Institute of Laser Engineering, Osaka Univ.4) *Yuka Motohashi1, Yumi Yakiyama1, Fumitaka Mafune2, Hajime Okajima3, Akira Sakamoto3, Toshihiko Shimizu4, Yuki Minami4, Nobuhiko Sarukura4, Hidehiro Sakurai1
15:34-15:52 4C13Molecular Dynamics Study on Self-Organized Lubrication Layers Formed at Sliding Interfaces of Silicon-Based Ceramics
(IMR, Tohoku Univ.1,Graduate School of Engineering, Tohoku Univ.2) *Yusuke Ootani1, Jingxiang Xu1, Naoki Takahashi1, Koshi Adachi2, Momoji Kubo1

Venue E  [Theory/Calculation]

14:40-14:58 4E10Chemical Reaction Path Search on Free Energy Surfaces
(Japan Atomic Energy Agency) *Motoyuki Shiga
14:58-15:16 4E11Quantum chemical exploration of new molecules: structure and stability of dimerized polycyclic aromatic hydrocarbons
(Institute for Quantum Chemical Exploration1,Graduate School of Science, Tohoku University2,ROIS3,University of Zurich4) *Koichi Ohno1,2, Hiroko Satoh1,3,4, Takeaki Iwamoto2
15:16-15:34 4E12Derivation of the relation of a reaction coordinate and estimated rate constant
(Johns Hopkins Univ. Chemistry) *Yutaka Nagahata, Hernandez Rigoberto
15:34-15:52 4E13Retrosynthetic planning with Generative Adversarial Network
(TOYOTA InfoTechnology Center Co., Ltd.1,Institute for Solid State Physics, The University of Tokyo.2) *Shintaro Fukushima1, Yuichi Motoyama2, Kazuyoshi Yoshimi2
15:52-16:10 4E14The analysis of reacthon paths on high-dimensional free energy landscapes by using free energy reaction route mapping method
(Graduate School of Science. Osaka Univ.) *Yuki Mitsuta, Shusuke Yamanaka, Takashi Kawakami, Mitsutaka Okumura