The 17th Annual Meeting of Japan Society for Molecular Science 2023

Poster Sessions

Tuesday, September 12

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.


Venue P

[Gas phase]

13:30-15:10
1P001 Time-resolved measurements of ultrafast dissociation dynamics of NO2 near dissociation threshold
(School of Science, The Univ. of Tokyo1,Graduate School of Arts and Sciences, The Univ. of Tokyo2,Komaba Institute for Science, The Univ. of Tokyo3,Institute for Attosecond Laser Facility, The Univ. of Tokyo4) Seigo Nakamura1, Shinichi Fukahori2,3, *Hirokazu Hasegawa2,3, Kaoru Yamanouchi1,4
13:30-15:10
1P002 High-resolution laser spectroscopy of the S1-S0 transition of acetaldehyde using a single-mode ultraviolet laser
(Graduate School of Science, Kobe Univ.1,MPRC, Kobe Univ.2) *Rin Taniguchi1, Kosuke Nakajima1, Akira Shimizu1, Shunji Kasahara2, Masaaki Baba2
13:30-15:10
1P003 High-resolution laser spectroscopy of S1 ← S0 electronic transitions in fluorene
(Graduate School of Science, Kobe Univ.1,MPRC, Kobe Univ.2) *Ruuku Minikku1, Shinji Kuroda1, Shunji Kasahara2
13:30-15:10
1P004 Verification of the applicability of multicomponent quantum mechanics to infrared spectroscopy calculations
(Advanced Science and Engineering, Hirosima Univ.) *Kazuki Kataoka, Yusuke Kanematsu, Takayoshi Ishimoto
13:30-15:10
1P005 Development of gas-phase ion fluorescence spectrometer using droplet-beam IR laser ablation method
(Grad. Sch. of Sci., Gakushuin Univ.) *Kenichi Okutsu, Hanako Mizumura, Jun-ya Kohno
13:30-15:10
1P006 Nonadiabatic ab initio Dynamics for the Photoisomerization process of 3,5-dimethylisoxazole via the S2 Electronic state
(Graduate School of Science and Technology, Sophia University1,Faculty of Science and Technology, Sophia University2) *Mizuki Kimura1, Shinkoh Nanbu2
13:30-15:10
1P007 Development of a new velocity-map imaging spectrometer for observation of rotational dynamics of molecules in He nanodroplets
(Graduate School of Science, TMU1,RIKEN2,Osaka University3,JST PRESTO4) *Daiki Adachi1,2, Takahiro Teramoto2,3, Reika Kanya1,4, Susumu Kuma2, Toshiyuki Azuma2
13:30-15:10
1P008 Cryogenic ion trap infrared spectroscopy of hydrated crown ether alkali metal complexes -elucidation of hydration effect on ion selectivity-
(School of Science, Tokyo Institute of Technology, Japan1,Laboratory for Chemistry and Life Science, Tokyo Institute of Technology, Japan2,School of Life Science and Technology, Tokyo Institute of Technology, Japan3,International Research Frontiers Initiative (IRFI), Institute of innovative Research, Tokyo Institute of Technology, Japan4,Department of Chemistry, University of Illinois at Urbana−Champaign, United States;5) *Ryu Sakuma1, Kiminari Oh1, Keisuke Hirata1,2, James m. Lisy4,5, Masaaki Fujii2,3,4, Shun-ichi Ishiuchi1,2
13:30-15:10
1P009 Ultrafast acquisition of photoelectron images by an event-based vision sensor : Improvement of image resolution by centroiding
(Department of Chemistry, kyushu Univ.) *Kazuaki Matsumoto, Yuta Suzuki, Rin Nomi, Tasuku Nishizato, Takefumi Handa, Masato Yamaguchi, Masashi Arakawa, Akira Terasaki, Takuya Horio
13:30-15:10
1P010 Gas-phase photoelectron spectroscopy of dimers of alloy clusters [PtAu24(SCnH2n+1)18] (n = 6, 8, 10, 12): Effects of alkyl chains on structures and stabilities
(Grad. School of Science, The University of Tokyo) *Yosuke Nakashima, Shun Ito, Kiichirou Koyasu, Tatsuya Tsukuda
13:30-15:10
1P011 Time-resolved electron momentum spectroscopy and global reaction route mapping studies on the change of molecular orbital during a chemical reaction
(School of Science, Tokyo Tech1,IMRAM, Tohoku Univ2,IQCE3) *Misaki Takano1, Masahiko Takahashi2, Koichi Ohno3, Yasuhiro Ohshima1, Masakazu Yamazaki1
13:30-15:10
1P012 Penning ionization electron spectroscopy of alkylbenzenes seeded in a supersonic molecular beam
(Graduate school of Informatics and Engineering, The University of Electro-Communications) *Ryo Takahashi, Shigeyuki Shimizu, Jun Motoyoshi, Yoshihiro Yamakita
13:30-15:10
1P013 Observation of vibrational and rotational wave packets of van der Waals dimers containing nitrogen molecules by Coulomb explosion imaging
(School of Science, Kitasato Univ.1,Tokyo Tech2) *Nanaho Yoshizawa1, Tomomi Murai2, Kenta Mizuse1,2, Yasuhiro Ohshima2
13:30-15:10
1P014 Theoretical study on dissociation channels of OCS2+ induced by direct photo ionization
(Grad. School Chem. Sci. Eng., Hokkaido Univ.1,Fac. Sci., Hokkaido Univ.2,Fac. Arts Sci., Kyushu Univ.3,Dep. Mol. Mat. Sci., Kyushu Univ.4,WPI-ICReDD, Hokkaido Univ.5) *Ryuto Kambara1, Takuro Tsutsumi2, Kenji Furuya3,4, Tetsuya Taketsugu2,5

[Solid phase]

13:30-15:10
1P015 Physical properties of ionic plastic crystals containing sterically bulky alkyl in cations
(Grad. Sch. of Nanobiosci., Yokohama City Univ.) *Yuna Okubo, Katsumi Nagai, Hisasi Honda
13:30-15:10
1P016 Carbon chain length dependence of physical properties in [NMe3CnH2n+1][BEt3Me] (n = 1-18)
(Grad. Sch. of Nanobiosci., Yokohama City Univ.1,Intl. Col. of Arts and Sci., Yokohama City Univ.2) *Hiroki Aikawa1, Mariko Ohtake2, Hisashi Honda1
13:30-15:10
1P017 Creation of largest pore three-dimensional covalent organic framework and its application as drug nanocarrier
(Graduate School of Science, Tokyo Univ. of Science1,Zhejiang Normal Univ.2) *Jin Sakai1, Yu Zhao2, Saikat Das1, Hruna Mabuchi1, Tsukasa Irie1, Teng Ben2, Tokuhisa Kawawaki1, Yuichi Negishi1
13:30-15:10
1P018 Incorporation of lysine molecules into Li2([18]crown-6)3[Ni(dmit)2]2(H2O)4 crystal
(Graduate School of Advanced Science and Engineering1,International Institute for SKCM22,Department of Chemical and Biological Engineering, National Institute of Technology, Ube College3,CResCent4,Institute for Advanced Materials Research, Hiroshima Univ.5,IMRAM, Tohoku Univ.6,RIES, Hokkaido Univ.7,PRESTO, JST8) *Riona Nagatomo1, Tisato Kato1, Goulven Cosquer1,2, Masaru Huzibayashi3, Katsuya Inoue1,2,4,5, Tomoyuki Akutagawa6, Kiyonori Takahashi7, Takayoshi Nakamura7, Sadahumi Nishihara1,2,5,8
13:30-15:10
1P019 [Withdraw]
13:30-15:10
1P020 Photophysical properties of achiral luminescent polymers doped with chiral dopants
(Graduate School of Science and Engineering, Ibaraki Univ.1,School of Science, Kitasato Univ.2) *Kazuyuki Asahi1, Masashi Hasegawa2, Yasuhiro Mazaki2, Hiroyuki Nishikawa1
13:30-15:10
1P021 Synthesis and Properties of New Chiral Perylenediimide Derivatives with extended π-systems.
(College of Science, Ibaraki University1,School of Science, Kitasato University2,Graduate School of Science and Engineering, Ibaraki University3) *Rikuto Fukuda1, Kana Nagaiwa1, Masashi Hasegawa2, Yasuhiro Mazaki2, Hiroyuki Nishikawa3
13:30-15:10
1P022 Circularly polarized luminescence of boron compounds coordinated with Schiff-base type chiral ligands
(Graduate School of Sci. and Eng., Ibaraki Univ.1,Graduate School of Sci., Kitasato Univ.2) *Yuka Inamura1, Daiki Tauchi1, Masashi Hasegawa2, Yasuhiro Mazaki2, Hiroyuki Nishikawa1
13:30-15:10
1P023 Excited-state dynamics of Cu phthalocyanine nanoparticles prepared by laser ablation method.
(Graduate School of Science and Engineering, Ehime Univ.1,Ehime University Research Unit2) *Yukihide Ishibashi1,2, Yuto Shiraishi1, Naoto Yamane1, Ryo Kihara1, Tsuyoshi Asahi1
13:30-15:10
1P024 Observation of excited-state dynamics of trans-stilbene in normal saturated fatty acid crystals
(Faculty of Science, Gakushuin Univ.) *Ryohei Watanabe, Koichi Iwata
13:30-15:10
1P025 Analyzing photopolymerization kinetics of distyrylpyrazine single crystals with low-frequency raman microscopy
(Graduate School of Engineering Science, Osaka University1,Graduate School of Engineering, Osaka Metropolitan University2) *Shin Ozamoto1, Hikaru Sotome1, Kohei Morimoto2, Daichi Kitagawa2, Seiya Kobatake2, Hiroshi Miyasaka1
13:30-15:10
1P026 Microscopic observation of photoreaction process in single crystals of anthracene derivatives
(Grad. Sch. of Eng., Osaka Metropolitan Univ.1,Grad. Sch. of Eng. Sci., Osaka Univ.2) *Sogo Kataoka1, Daichi Kitagawa1, Hikaru Sotome2, Hiroshi Miyasaka2, Seiya Kobatake1
13:30-15:10
1P027 Endohedral confinement of Li+ and intermolecular interactions in [Li+@C60]SbCl6-
(Grad School of Science and Engineering, Yamagata Univ.1,Faculty of Life Science, Kyushu Sangyo Univ.2) *Yo Kato1, Yoshihide Nakao2, Hideo Ando1

[Surface/Interface]

13:30-15:10
1P028 Direct biomolecule discrimination in mixed samples using single-molecule measurement
(SANKEN, Osaka University) *Jiho Ryu, Yuki Komoto, Takahito Oshiro, Masateru Taniguchi
13:30-15:10
1P029 Reaction of ethylene on Cu3Pd(111) surface using supersonic ethylene molecular beam
(Graduate School of Science, Osaka Univ.1,IRS, Osaka Univ.2,JAEA3) *Masaaki Ando1, Natsumi Murase1, Yasutaka Tsuda3, Takashi Yamada1, Akitaka Yoshigoe3, Michio Okada2
13:30-15:10
1P030 Molecular Orientation at Organic Semiconductor Interfaces and Transistor Characteristics
(GSSE, Chiba Univ.1,MCRC, Chiba Univ.2) *Koki Tanoue1, Masaki Tomita1, Hisao Ishii1,2, Takayuki Miyamae1,2
13:30-15:10
1P031 H2O effects on CO2 dissociative adsorption on Rh(111) surface ~ In situ observations using NAP-XPS and PM-IRRAS ~
(Graduate School of Sci. and Tech, Keio Univ.) *Yu Murano, Ryo Toyoshima, Hiroshi Kondoh
13:30-15:10
1P032 Evaluation of magnetic dipole components in sum frequency generation spectroscopy
(Graduate School of Science, Tohoku Univ) *Koichi Kumagai, Tomonori Hirano, Akihiro Morita
13:30-15:10
1P033 Wavefunction imaging of excited electrons at an organic surface studied by angle-resolved two-photon photoemission spectroscopy.
(Graduate School of Engineering, OMU1,Graduate School of Science, OU2) *Yuuma Tan1, Shuto Nojima1, Natsumi Murase2, Takeshi Yamada2, Daegwi Kim1, Hiroyuki Kato2, Megumi Akai2, Masahiro Shibuta1
13:30-15:10
1P034 Measurement of HD-VSFG spectra of SHG active dye Ap3 in lipid monolayers on water
(Graduate School of Science and Technology University of Tsukuba) *Takumi Kameyama, Masato Kondoh, Atsuya Momotake, Taka-aki Ishibashi
13:30-15:10
1P035 Theoretical study on the synthesis of primary amines using gold supported titanium dioxide catalyst
(Graduate School of Science, Osaka Univ.) *Kenta Okuma, Mitsutaka Okumura, Shusuke Yamanaka, Takasi Kawakami, Taiki Toyao
13:30-15:10
1P036 Extreme ultraviolet photoelectron spectroscopy of gas-liquid interfacial region.
(Graduate School of Science, Kyoto Univ.) *Taiki Koga, Yoichi Yamamoto, Alexie Boyer, Shutaro Karashima, Toshinori Suzuki
13:30-15:10
1P037 Theoretical investigation of electron transfer reaction rate modulated by molecules‐vacuum field strong coupling
(Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2) *Takahiro Hayashi1, Tomohiro Fukushima2, Kei Murakoshi2

[Biomolecules]

13:30-15:10
1P038 Applications of FMO interaction analysis for biomolecules using tensor decomposition
(College of Science, Rikkyo Univ.1,JSOL Corp.2,Graduate School of System Informatics, Kobe Univ.3,Univ. Tokyo4) *Koji Okuwaki1,2, Hideo Doi1, Kazuki Akisawa1, Shun Kitahara1, Shigenori Tanaka3, Yuji Mochizuki1,4
13:30-15:10
1P039 Changes in the primary process of photosynthesis in a glaucophyta Cyanophora paradoxa in response to iron, probed by time-resolved fluorescence spectroscopy
(Graduate School of Science, Kobe Univ.1,Institue of Arts and Science, Tokyo Univ. Sci.2,JIRCAS3) *Nozomi Sakai1, Miyu Furutani1, Yoshifumi Ueno2, Shimpei Aikawa3, Seiji Akimoto1
13:30-15:10
1P040 Reactivity of 6-thioguanosine with singlet oxygen
(Graduate School of Science and Engineering, Aoyama Gakuin Univ.) *Sena Kihara, Wataru Kashihara, Tadashi Suzuki
13:30-15:10
1P041 Label-free imaging of rare actinomycete sporangium using linear/nonlinear Raman microspectroscopy and multivariate curve resolution
(Graduate School of Science and Technology, Kwansei Gakuin Univ.1,Graduate School of Agricultural and Life Sciences, Univ. of Tokyo2) *Keisuke Usami1, Takeaki Tezuka2, Yasuo Ohnishi2, Shinsuke Shigeto1
13:30-15:10
1P042 Theoretical analysis of CD spectral changes of rhodopsin dimers
(Graduate School of Science, Nagoya Univ.1,ITBM, Nagoya Univ.2,ISSP, Tokyo Univ.3) *Yuta Tsuzuki1, Kazuhiro Fujimoto1,2, Keiichi Inoue3, Takeshi Yanai1,2
13:30-15:10
1P043 All-atom molecular dynamics analysis of the effect of co-solvent addition for functional control of hydrolytic enzymes
(Graduate School of Engineering Science, Osaka Univ.1,AIST2) *Ryuji Osaka1, Toyokazu Ishida2, Kento Kasahara1, Nobuyuki Matubayasi1
13:30-15:10
1P044 Hyper-Raman spectroscopy for characterizing secondary structures of polypeptides in aqueous solutions
(Graduate School of Arts and Sciences, The University of Tokyo) *Tsung-han Liu, Masanari Okuno
13:30-15:10
1P045 Functional conversion of light-driven outward proton pumping rhodopsin to inward proton pump
(Inst. Solid State Physics, Univ. Tokyo) Maria del carmen Marin perez, Masae Konno, Hiromu Yawo, *Keiichi Inoue
13:30-15:10
1P046 3D imaging of medaka scales using multi-point parallel detection confocal Raman microspectroscopy
(Graduate School of Sci. and Eng. Aoyama Gakuin Univ.1,Institute of Edu. Tokyo Med.&Dent. Univ.2) *Sako Nakagawa1, Rintaro Shimada1, Masayuki Nara2, Akira Sakamoto1
13:30-15:10
1P047 Stabilization effect of the histidine protonation states on the hemoglobin structure: A Theoretical Analysis
(Graduate School of Informatics, Nagoya Univ.1,School of Engineering, Shizuoka Univ.2,FV-CRC, Nagoya Univ.3) *Haruka Yotsuya1, Yukichi Kitamura2, Masataka Nagaoka1,3
13:30-15:10
1P048 Blue-light induced interaction dynamics between light sensor protein RsPYP and its downstream protein RsPBP
(Graduate School of faculty of science, Kyoto Univ.1,Graduate School of arts and sciences, Tokyo Univ.2) *Mizuki Hirata1, Yusuke Nakasone1, Suhyang Kim2, Masahide Terazima1

[Liquid phase]

13:30-15:10
1P049 Study for photo breaching condition of D-Luciferin using UV laser and LED light
(Graduate School of Science and Technology, Gunma Univ1,Institute for Solid State Physics, The Univ of Tokyo, Japan2,Gunma Univ Center for Food Science and Wellness, Japan3) *Hiroki Matsunaga1,2, Ryohei Ono1,2, Masataka Kobayashi2, Hidefumi Akiyama2, Hideyuki Itabashi1,3, Miyabi Hiyama1,2,3
13:30-15:10
1P050 Photo-cleaving process of coumarin-caged luciferin
(Graduate School of Science, Gunma Univ.1,ISSP, U.Tokyo2,Tokyo University of Pharmacy and Life Sciences3,Gunma University Center for Food Science and Wellness4) Ryo Kumagai1, Ryohei Ono1,2, Ken-ichiro Kanno1, Hirodhi Aoyama3, Junko Usukura2, Masataka Kobayashi2, Hidefumi Akiyama2, Hideyuki Itabashi1,4, *Miyabi Hiyama1,2,4
13:30-15:10
1P051 photo-decomposition quantitative measurement of DEACM caged luciferin using chiral HPLC
(Graduate School of Science and Technology, Gunma Univ, Japan1,School of Science and Tecnology, Gunma Univ, Japan2,Institute for Solid State Physics, The Univ of Tokyo, Japan3,School of Pharmacy, Tokyo Univ of Pharmacy and Life Sciences, Japan4,Gunma Univ Center for Food Science and Welness, Japan5) *Tomoya Nakano1,3, Ryohei Ono1,3, Kenichiro Kanno1,2, Hiroshi Aoyama4, Junko Usukura3, Masataka Kobayashi3, Hidefumi Akiyama3, Hideyuki Itabashi1,2,5, Miyabi Hiyama1,2,5
13:30-15:10
1P052 Measurement of in situ absorption spectrum for AkaLuimne with North American firefly luciferase.
(Graduate School of Science and Technology, Gunma Univ, Japan1,Institute for Solid State Physics, The Univ of Tokyo, Japan2,Department of Applied Chemistry and Biochemical Engineering, Graduate School of Engineering, Shizuoka Univ, Japan3,Department of Applied Chemistry, Faculty of Engineering, Chiba Institute of Technology, Japan4,Department of Engineering Science, Graduate School of Informatics and Engineering, The Univ of Electro-Communications, Japan5,Center for Neuroscience and Biomedical Engineering (CNBE), The Univ of Electro-Communications, Japan6,Department of Chemical and Biological Sciences, Faculty of Science, Japan Woman's Univ, Japan7,Gunma Univ Center for Food Science and Wellness, Japan8) *Keita Osawa1,2, Ryohei Ono1,2, Yoshifumi Noguchi3, Norifumi Yamamoto4, Nobuo Kitada5,6, Ryohei Saito-moriya5,7, Takashi Hirano5, Shojiro A.maki5,6, Masataka Kobayashi2, Hidefumi Akiyama2, Hideyuki Itabashi1,8, Miyabi Hiyama1,2,8
13:30-15:10
1P053 Absorption and fluorescence properties of the near-infrared emitting substrate : seMpai
(Graduate School of Science and Technology, Gunma Univ.1,Institute for Solid State Physics, The Univ. of Tokyo2,Department of Applied Chemistry and Biochemical Engineering, Graduate School of Engineering, Shizuoka Univ.3,Department of Engineering Science, Graduate School of Informatics and Engineering, The Univ. of Electro-Communications4,Center for Neuroscience and Biomedical Engineering (CNBE), The Univ. of Electro-Communications5,Department of Chemical and Biological Science, Faculty of Science, Japan Woman's Univ.6,School of Pharmacy,Tokyo University of Pharmacy and Life Sciences, Japan7,Gunma University Center for Food Science and Wellness, Japan8) *Harada Masahiro1,2, Ryohei Ono1,2, Tamotu Uchiyama1, Yoshifumi Noguchi3, Ryohei Saito-moriya4,6,7, Hiroshi Aoyama7, Nobuo Kitada4,5, Shojiro A maki4,5, Takashi Hirano4, Hidefumi Akiyama2, Hideyuki Itabashi1,8, Miyabi Hiyama1,2,8
13:30-15:10
1P054 Quantitative Measurement of Luminol Chemiluminescence
(Graduate School of Science, Gunma Univ.1,ISSP, U.Tokyo2,Gunma University Center for Food Science and Wellness3) *Yosuke Kurata1,2, Ryohei Ono1,2, Masataka Kobayashi2, Hidefumi Akiyama2, Hideyuki Itabashi1,3, Miyabi Hiyama1,3,2
13:30-15:10
1P055 Near-infrared two-photon absorption of Rhodamine B by optical-probing photoacoustic spectroscopy
(Graduate School of Science and Engineering, Aoyama Gakuin Univ.) *Shota Watanabe, Ayumi Tahara, Wataru Kashihara, Tadashi Suzuki
13:30-15:10
1P056 Characterization of two-photon absorption properties of asymmetric diphenylacetylene by optical-probing photoacoustic spectroscopy
(Graduate School of Science and Engineering, Aoyama Gakuin Univ.) *Nagisa Ozaki, Syota Watanabe, Wataru Kashihara, Tadashi Suzuki
13:30-15:10
1P057 Estimation of quantum yield for photodecarboxylation reaction of 2-arylproprionic acids by transient grating method
(Graduate School of Science and Engineering, Aoyama Gakuin Univ.) *Hyu Tamai, Wataru Kashihara, Tadashi Suzuki
13:30-15:10
1P058 Electronic states of water in high-concentrated alkali-metal salt -aqueous electrolytes probing far-ultraviolet spectroscopy
(Graduate School or Science and Engineering, Kindai Univ.1,School or Science and Engineering, Kindai Univ.2,Faculty of Human Development, Kobe University3) Shoichi Higashi1, Souma Itani2, Nami Ueno3, *Yusuke Morisawa1,2
13:30-15:10
1P059 Study for photo cleagave of coumarin-caged luciferin using UV laser and LED light
(Graduate School of Science and Technology, Gunma Univ, Japan1,Institute for Solid State Physics, The Univ of Tokyo, Japan2,Gunma Univ Center for Food Science and Wellness, Japan3) *Yuusuke Imanishi1,2, Ryohei Ono1,2, Tomoya Nakano1,2, Hiroki Matunaga1,2, Masataka Kobayashi2, Hidefumi Akiyama2, Hideyuki Itabashi1,3, Miyabi Hiyama1,2,3
13:30-15:10
1P060 Time-resolved infrared absorption spectroscopy of aqueous nucleobase solutions
(Graduate School of Science, Kyoto Univ.) Yuki Obara, *Shota Kamibashira, Toshinori Suzuki
13:30-15:10
1P061 Structure of aqueous ethanol solution: Soft X-ray emission spectroscopy measurements and theoretical calculations
(Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,Institute for Solid State Physics2) *Osamu Takahashi1, Yoshihisa Harada2
13:30-15:10
1P062 Hydrogen-bonding energy of Pyrrole-4-Methylpyridine hydrogen-bonding complex in carbon tetrachloride solvent
(NIT, Kumamoto College) *Yoshisuke Futami

[Clusters/particles/nanostructures]

13:30-15:10
1P063 MD and TD-DFT calculations on the spectroscopic properties of solvated aniline
(Fac. Sci., Kyushu Univ.) *Kazuhiko Ohashi, Takumi Watanabe
13:30-15:10
1P064 Observation of spontaneous reduction in water-in-oil droplets: Effect of droplet electrification
(Graduate School of Science, Osaka Metropolitan Univ.) *Yuzuki Suganuma, Tomoyuki Yatsuhashi, Kenji Sakota
13:30-15:10
1P065 Development and Characterization of Ion Mobility Spectrometer with Charged Detector
(Department of Chemistry, Toho University) *Kisuke Tsunemi, Toshiki Sugai
13:30-15:10
1P066 Density functional theory calculation of methane to ethylene conversion by silver containing ZSM-5 zeolite
(Kyoto Institute of Technology) *Ryosei Nishibe, Takashi Yumura
13:30-15:10
1P067 Photoelectron spectroscopy of [Au21(SR)14] of [Au17(SR)10] with 8 electrons: characterization of geometric and electronic structures
(Grad. School of Science, The Univ. of Tokyo) *Yuki Fujiwara, Shun Ito, Kiichirou Koyasu, Tatsuya Tsukuda
13:30-15:10
1P068 Key factors enabling the formation of halogen-bridged superatomic molecules
(Graduate School of Science, Tokyo Univ. of Science1,Faculty of Science, Hokkaido Univ.2) *Ayaka Ikeda1, Taiga Kosaka1, Sakiat Hossain1, Yoshiki Niihori1, Tokuhisa Kawawaki1, Takeshi Iwasa2, Tetsuya Taketsugu2, Yuichi Negishi1
13:30-15:10
1P069 Atmospheric Pressure Hydrogenation of Carbonyl Compounds by Ir-doped Ru Nanoparticles: Role of Ir Multinuclear Sites
(Grad. School of Science, The Univ. of Tokyo) *Shuntaro Kunii, Shinya Masuda, Shinjiro Takano, Tatsuya Tsukuda
13:30-15:10
1P070 Reactivity of single-sized silver nanoclusters on organic substrates
(Faculty of Science and Technology, Keio Univ.) *Takashi Nishikawa, Ryoichi Sato, Koh Shinomiya, Tomoya Inoue, Atsushi Nakajima
13:30-15:10
1P071 Effects of chemical modification in liquid phase around ambient temperature on the structural and electronic properties of nanodiamond
(Graduate School of Science and Engineering, Hosei Univ.1,Dept. of Bioscience and Applied Chemistry, Hosei Univ.2) Takuma Tsuji1, Risa Ise2, Yuya Miyake2, *Kazuyuki Takai1,2
13:30-15:10
1P072 In-situ electrochemical Raman spectroscopy to investigate the molecular mechanism of oxygen evolution reaction of nano-structured electrodes
(Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2) *Kenkou Tsuchimoto1, Nobuaki Oyamada1, Tomohiro Fukushima2, Kei Murakoshi2
13:30-15:10
1P073 Photodissociation spectroscopy of scandium-doped silver cluster cations: Geometric structures identified by fragment analysis and electronic structures modulated by doping
(Department of Chemistry, Faculty of Science, Kyushu University) *Miho Hirakawa, Yuna Aonuma, Shun Kawamura, Takefumi Handa, Satoshi Kono, Masato Yamaguchi, Masashi Arakawa, Takuya Horio, Akira Terasaki
13:30-15:10
1P074 Lewis acid mediated selective removal of alkynyl ligands from heteroleptically-protected Au13 clusters
(Graduate School of Science, The Univ. of Tokyo1,ESICB, Kyoto Univ.2) *Zengguang Huang1, Shinjiro Takano1, Tatsuya Tsukuda1,2
13:30-15:10
1P075 Control of aggregation state by changing pH and SERS intensity change of gold nanoparticles complexed with functional polymers
(Graduate School of Science, Chiba Univ.1,Graduate School of Engineering, Utsunomiya Univ.2) *Shinya Tamura1, Nobuo Uehara2, Yuhi Suzuki2, Takeshi Morita1
13:30-15:10
1P076 Synthesis and Elementary Exciton Dynamics of ZnSe-based Core/shell Quantum Dots
(Kwansei Gakuin University) *Masaki Hihara, Naoto Tamai, Daichi Eguchi, Li Wang

[Theory/Calculation]

13:30-15:10
1P077 Development and application of an accurate excited state theory for large-scale complex systems: PNO-QD-NEVPT2 Method
(Graduate School of Science, Nagoya Univ.1,Institute of Transformative Bio-Molecules (WPI-ITbM), Nagoya Univ.2) *Manami Hayashi1, Masaaki Saitow1, Kazuma Uemura1, Takeshi Yanai1,2
13:30-15:10
1P078 Analytic Derivatives of CASPT2 with IPEA shift
(Graduate School of Science, Kyoto Univ.) *Yoshio Nishimoto
13:30-15:10
1P079 Theoretical analysis of positronic compounds of fluorine molecular divalent anions using quantum Monte Carlo method
(Graduate School of Nanobioscience,Yokohama City Univ.1,Nishina Center for Accelerator-Based Science, RIKEN Daisuke Yoshida2) *Kentaro Numata1, Daisuke Yoshida2, Masanori Tachikawa1, Yukiumi Kita1
13:30-15:10
1P080 Applications of the FC chemical formula theory for atoms and molecules
(Quantum Chemistry Research Institute) *Hiroyuki Nakashima, Hiroshi Nakatsuji
13:30-15:10
1P081 First-principles GW simulations for core electron binding energies
(Graduate School of Engineering, Shizuoka Univ.1,Graduate School of Engineering, Yokomaha National Univ.2) *Kenta Yoneyama1, Yoshifumi Noguchi1, Kaoru Ohno2
13:30-15:10
1P082 GW+Bethe-Salpeter simulations with full GW electron-hole interaction kernel
(Graduate School of Engineering, Shizuoka Univ.) *Satoka Yamada, Yoshifumi Noguchi
13:30-15:10
1P083 Extension of machine-learned electron correlation model to 4th period elements
(Graduate School of ASE, Waseda Univ.1,WISE, Waseda Univ.2) *Ryo Fujisawa1, Mikito Fujinami2, Hiromi Nakai1,2
13:30-15:10
1P084 Analysis of linear response function of electron density
(Graduate School of Science, Osaka Univ.) *Ren Oike, Takechika Kikkawa, Tomohiro Maruyama, Takasi Kawakami, Shusuke Yamanaka, Mitsutaka Okumura
13:30-15:10
1P085 Main configuration analysis for divide-and-conquer-based non-local excited state calculation using dynamical polarizability
(School of Advanced Science and Engineering, Waseda Univ.1,Faculty of Pharmaceutical Sciences, Toho Univ.2,WISE, Waseda Univ.3) *Ryusei Nishimura1, Takeshi Yoshikawa2,3, Ken Sakata2, Hiromi Nakai1,3
13:30-15:10
1P086 Electron density derivatives with respect to nuclear coordinates using the CPKS equations and linear response theory
(Keio Univ) *Satoshi Yabushita, Yuto Kugaya, Masafumi Tsuyuki
13:30-15:10
1P087 The study of the vibrationally averaged structure of linear molecular using path integral molecular dynamics methods
(Faculty of Engineering Gifu Univ.1,Graduate School of NanobioScience, Yokohama City University2) *Hikaru Tanaka1, Kazuaki Kuwahata2, Masanori Tachikawa2, Taro Udagawa1
13:30-15:10
1P088 Substituent effects on the MLCT absorption of ruthenium (II) complexes with π-elongated ligands: experimental and computational studies
(Faculty of Applied Science, Tunku Abdul Rahman University of Management and Technology1,Graduate School of Engineering, Osaka University2) *Zi ying Yeoh1,2, Yoshitada Morikawa2, Siow ping Tan1, Siew san Tan1
13:30-15:10
1P089 Development of an efficient spectral calculation method using semiclassical propagators
(Graduate School of Science, Kyoto Univ.) *Masaya Tsumura, Yuki Kurashige
13:30-15:10
1P090 Non-adiabatic ab initio molecular dynamics on ultra-violet photodissociation of methylamine in S1 state
(Department of Materials and Life Science, Sophia University) *Yurika Takaku, Shinkoh Nanbu
13:30-15:10
1P091 Orbital interaction based prediction of the relationship between molecular structure and conductivity
(Kyushu Univ.) *Yuuichi Orimoto, Yuriko Aoki
13:30-15:10
1P092 First-principles analysis of doped layered perovskite semiconductor photocatalyst Y2Ti2O5S2
(Graduate School of Science,Techinology and Innovation, Kobe Univ.1,Graduate School of System Informatics, Kobe Univ.2) *Tomonaga Amagishi1, Kazutaka Nishiguchi2, Seiichiro Tenno2
13:30-15:10
1P093 Theoretical study on the effect of ligand modification of binuclear IrIII–MII (MII=Mn, Fe, Co, Ni, Cu, Zn) complexes bridged by pyrazole ligand
(Graduate School of Engineering Science, Osaka Univ.1,QIQB, Osaka Univ.2,RCSEC, Osaka Univ.3,ICS-OTRI, Osaka Univ.4,SRN, Osaka Univ.5) *Yuta Hayashi1, Naoka Amamizu1, Keisuke Sasaki1, Masahiro Tsuda1, Ryohei Kishi1,2,3,4, Yasutaka Kitagawa1,2,3,4,5
13:30-15:10
1P094 Theoretical study on the formation reaction of formyl cyanide on the excited state with formaldehyde and cyano radical in interstellar space
(Chiba Institute of Technology) *Miona Saito, Shoji Kudo, Hidenori Matsuzawa
13:30-15:10
1P095 Theoretical study on the formation reaction of the benzene with 1-penten-3-yne and CH radical
(Chiba Institute of Technology) *Mika Natori, Shoji Kudo, Hidenori Matsuzawa
13:30-15:10
1P096 Simulation of photoexcitation of linear CO2+ in an intense laser field
(Graduate School of Science, The University of Tokyo1,Attosecond Laser Facility, The University of Tokyo2) *Siwei Huang1, Erik Lötstedt1, Kaoru Yamanouchi2
13:30-15:10
1P097 Theoretical study of homochirality generation in interstellar space
(CCS, Univ. of Tsukuba1,Graduate School of Science and Technology, Univ. of Tsukuba2) *Yuta Hori1, Natsuki Watanabe1,2, Mitsuo Shoji1, Yasuteru Shigeta1
13:30-15:10
1P098 Theoretical Study of Metal-Supported Catalyst Conversion of Cellulose to Sugar Alcohols
(The University of Tokyo Graduate School, Japan Atomic Energy Agency1,Japan Atomic Energy Agency2,The University of Tokyo Graduate School3) *Yuto Nakata1, Motoyuki Shiga2, Takehiko Sasaki3
13:30-15:10
1P099 Database of metal-phosphine complexes and its application to the prediction of the catalytic abilities using machine learning
(Graduate School of Science and Technology, Keio Univ.1,Graduate School of Science, Tokyo Metropolitan Univ.2,Graduate School of Science, Hokkaido Univ.3) *Shunsuke Nakatani1, Yohei Ogiwara2, Julong Jiang3, Taichi Inagaki1, Miho Hatanaka1
13:30-15:10
1P100 Theoretical study on reaction evaluation of novel molecular catalysts for the decomposition of NOx and CO
(Graduate School of Sciences and Technology for Innovation, Yamaguchi Univ.1,Graduate School of Facility of Advanced Science and Technology, Kumamoto Univ.2) *Toshiki Adachi1, Hirtoshi Fujimoto2, Michinori Sumimoto1
13:30-15:10
1P101 Theoretical study on reaction mechanisms for organic photosynthesis catalysts
(Nippon Steel Corporation) *Yoichi Matsuzaki
13:30-15:10
1P102 Theoretical study on singlet fission dynamics in linear molecular aggregate models with local changed of intermolecular interaction
(Graduate School of Engineering Science, Osaka Oniv.1,Center for Quantum Information and Quantum Biology, Osaka Univ.2,Innovative Catalysis Science Division, Institute for Open and Tansdisciplinary Research Initiatives, Osaka Univ.3,Research Center for Solar Energy Chemistry, Osaka Univ.4,Center for Spintronics Research Network, Osaka Univ.5) *Hajime Miyamoto1, Kenji Okada1, Ryohei Kishi1,2,3,4, Yasutaka Kitagawa1,2,3,4,5
13:30-15:10
1P103 Analysis of CO dissociation mechanism on cobalt surface using reactive molecular dynamics methods
(Graduate School of Science, Hiroshima Univ.1,Hiroshima Univ.2) *Ryou Imai1, David Rivera1, Syougo Morisaki2, Yusuke Kanematsu1, Takayoshi Ishimoto1
13:30-15:10
1P104 Implementation of a multireference method for calculating spin Hamiltonian parameters
(Graduate School of Science, Kyoto Univ.) *Katsuki Miyokawa, Yuki Kurashige
13:30-15:10
1P105 [Withdraw]
13:30-15:10
1P106 Theoretical consideration on steric effect to emission intensity in Cu complex
(Graduate School of Science, Kyushu Univ.) Hiroyoshi Kurogi, *Satoshi Suzuki, Haruyuki Nakano
13:30-15:10
1P107 Isomer search of ferrocene using Scaled Hypersphere Search Method
(Graduate School of Systems Engineering, Wakayama Univ.1,Faculty of Systems Engineering, Wakayama Univ.2) *Yosuke Tokuda1, Hideo Yamakado1,2
13:30-15:10
1P108 [Withdraw]
13:30-15:10
1P109 [Withdraw]
13:30-15:10
1P110 Theoretical study of the design of synthetic pathway for natural compound, ervatamine
(Graduate School of Sciences and Technology for Innovation, Yamaguchi Univ.1,Nara Institute of Science and Technology2,Graduate School of Pharmaceutical Sciences, Chiba Univ.3) *Ryusei Ohtani1, Eri Kawahara1, Kimito Funatsu2, Hayato Ishikawa3, Michinori Sumimoto1
13:30-15:10
1P111 Theoretical investigation of chemical reaction pathways based on normal mode analysis
(Graduate School of Science, Osaka Univ.) *Ryo Nomada, Takechika Kikkawa, Takasi Kawakami, Shusuke Yamanaka, Mitsutaka Okumura
13:30-15:10
1P112 Natural reaction orbital analysis for Beckmann rearrangement with reaction path bifurcation
(School Sci., Hokkaido Univ.1,WPI-ICReDD, Hokkaido Univ.2,Fac. Sci., Hokkaido Univ.3,Grad. School Chem. Sci. Eng., Hokkaido Univ.4) *Tatsuhiro Nakanishi1, Yuriko Ono2, Takuro Tsutsumi3, Shuichi Ebisawa4, Kazuki Sada3, Tetsuya Taketsugu2,3
13:30-15:10
1P113 Reaction Space Projector (ReSPer) and ab initio MD Analyses of reaction branching mechanism and substitution effect for ambimodal pericyclic reactions
(Grad. School Chem. Sci. Eng., Hokkaido Univ.1,Fac. Sci., Hokkaido Univ.2,WPI-ICReDD, Hokkaido Univ.3) *Keita Mataki1, Takuro Tsutsumi2, Yuriko Ono3, Tetsuya Taketsugu2,3
13:30-15:10
1P114 Significant nuclear quantum effect of proton in the reaction of phenol and OH radical
(Department of Chemistry, Faculty of Engineering, Gifu Univ.1,Graduate School of Nanobioscience, Yokohama City University2) *Taro Udagawa1, Haruya Shibata1, Masanori Tachikawa2