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

Oral Sessions

Tuesday, September 12

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.


Tuesday Morning Sessions

Venue A [Gas phase]

9:36-9:54
1A03 Wave-packet control of large-amplitude vibration and rotation in the electronic ground state using multiple laser pulses
(School of Science, Tokyo Tech) *Makoto Nikaido, Yasuhiro Ohshima
9:54-10:12
1A04 Polarization dependent ionization probability of N2 prepared as rotational wave packet in an intense laser field
(Graduate School of Arts and Sciences, The Univ. of Tokyo1,Komaba Institute for Science, The Univ. of Tokyo2) *Shinichi Fukahori1,2, Hirokazu Hasegawa1,2
10:12-10:30
1A05 Highly efficient state-selective rotational excitation of nitric oxide using a chirped ultrashort pulse pair
(School of Science, Tokyo Tech) *Dai Ikeda, Yasuhiro Ohshima
10:30-10:48
1A06 Quantum optimal control of vibrational wave packets by using non-resonant laser-induced dipole interaction
(Tohoku University1,NAIST2,IMS3,SOKENDAI4) Reon Ishii1, Tomotaro Namba1, Hiroyuki Katsuki2, Kenji Ohmori3,4, *Yukiyoshi Ohtsuki1
11:06-11:24
1A08 Orientation-selective molecular ionization using intense phase-controlled laser fields
(AIST) *Hideki Ohmura, Naoaki Saito
11:24-11:42
1A09 Ultrafast pump-probe measurements of CO2 by few-cycle NIR pulses and the XUV high-order harmonics
(School of Science, Univ. of Tokyo1,I-ALFA, Univ. of Tokyo2) Takuya Matsubara1, Hiroki Mashiko1, Tomoya Yamauchi1, Kana Yamada1, Toshiaki Ando1, Atsushi Iwasaki1, *Kaoru Yamanouchi1,2
11:42-12:00
1A10 Theoretical simulation of strong-field excitation of N2+ in 400 and 800 nm laser fields
(School of Science, The University of Tokyo1,Jilin University2) *Erik Lötstedt1, Huailiang Xu2, Kaoru Yamanouchi1

Venue B [Surface/Interface]

9:00-9:18
1B01 Achieving tip-enhanced sum-frequency generation spectrosocpy based on the plasmonic field enhancement between the STM-tip and metal substrates
(Institute for Molecular Science1,The Graduate University for Advanced Studies, SOKENDAI2) *Atsunori Sakurai1,2, Shota Takahashi1, Tatsuto Mochizuki1,2, Toshiki Sugimoto1,2
9:18-9:36
1B02 Observation of the aggregation structure of surface adsorbed molecules by tip-enhanced sum-frequency generation spectroscopy
(Institute for Molecular Science1,The Graduate University for Advanced Studies, SOKENDAI2) *Shota Takahashi1, Tatsuto Mochizuki1,2, Atsunori Sakurai1,2, Toshiki Sugimoto1,2
9:36-9:54
1B03 Generalized transition moment for the selection rule in photo-STM
(Faculty of Science, Hokkaido University1,JST-PRESTO2,WPI-ICReDD, Hokkaido University3) *Takeshi Iwasa1,2,3, Tetsuya Taketsugu1,3
9:54-10:12
1B04 Microscopic insights into photo-induced electron species and role of metal cocatalysts on photocatalytic reduction reaction revealed by operando infrared spectroscopy under irradiation of millisecond-modulated excitation light
(Institute for Molecular Science1,The Graduate University for Advanced Studies, SOKENDAI2) *Hiromasa Sato1, Toshiki Sugimoto1,2
10:12-10:30
1B05 Transient Amperometry of O2 Released over Semiconductor Photocatalysts
(Graduate School of Science, Kobe Univ.1,Institute for Molecular Science2) *Hiroshi Onishi1,2
10:48-11:24
1B07 Structures and Catalysis of Metal-cooperated Oxides
(Research Center for Materials Science, Nagoya Univ.) *Mizuki Tada
11:24-11:42
1B09 Theoretical study on the formation of active oxygen by porous polyoxometalate-supported metal catalysts
(Graduate School of Science, Osaka Univ.1,Tokyo Metropolitan Univ.2) *Tomohisa Yonemori1, Murayama Toru2, Kawakami Takashi1, Yamanaka Shusuke1, Okumura Mitsutaka1
11:42-12:00
1B10 Methane oxidation on Pd single-crystal surfaces studied by operando spectroscopy
(Graduate School of Science, Kyoto Univ.1,SRIS, Tohoku Univ.2,ISSP, Univ. of Tokyo3,IMS4) *Takanori Koitaya1, Susumu Yamamoto2, Iwao Matsuda3, Jun Yoshinobu3, Toshihiko Yokoyama4

Venue C [Liquid phase]

9:00-9:18
1C01 The role of RNA in protein droplets formed by liquid-liquid phase separation: a Raman microscopy study
(Graduate School of Pharmaceutical Sciences, Tohoku University1,JST PRESTO2) *Uchu Matsuura1, Shinya Tahara1, Shinhi Kajimoto1,2, Takakazu Nakabayashi1
9:18-9:36
1C02 Excited State Dynamics of Azafluoranthene Derivatives
(College of Science and Engineering, Aoyama Gakuin University1,Faculty of Materials for Energy, Shimane University2) *Wataru Kashihara1, Takahiro Sawano2, Ryo Takeuchi1, Tadashi Suzuki1
9:36-9:54
1C03 Quantum yield and molar extinction coefficient of near-Infrared bioluminescence with firefly luciferin analog: AkaLumine
(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 Engineering Science, Graduate School of Informatics and Engineering, The Univ of Electro-Communications, Japan4,Center for Neuroscience and Biomedical Engineering (CNBE), The Univ of Electro-Communications, Japan5,Department of Chemical and Biological Sciences, Faculty of Science, Japan Woman's Univ, Japan6,Gunma Univ Center for Food Science and Wellness, Japan7) *Ryohei Ono1,2, Keita Ohsawa1,2, Yutaka Takahashi1, Yoshifumi Noguchi3, Nobuo Kitada4,5, Ryohei Saito-moriya4,6, Takashi Hirano4, Shojiro a. Maki4,5, Keisei Shibata2, Hidefumi Akiyama2, Ken-ichiro Kanno1, Hideyuki Itabashi1,7, Miyabi Hiyama1,2,7
9:54-10:12
1C04 Effects of caffeine on the solubility of acidic drugs
(Graduate School of Pharmaceutical Sciences, Tokyo University of Science) *Ryotaro Koga, Chihiro Tsunoda, Tomohiro Tsuchida, Satoru Goto
10:12-10:30
1C05 Expression of Optical Activity in Supramolecular and Crystal States of an Axially chiral molecule hbNaph, with small π-conjugation
(Chitose Instisute of Science and Technology1,IMRAM. Tohoku. Univ.2) *Kei Kobayashi1, Kenichi Sakai1, Toshitaka Tushima2, Tomoyuki Akutagawa2
10:48-11:06
1C07 Electronic structure and coordination number of protoporphyrin IX complexes probed by soft X-ray absorption spectroscopy
(RUB1,IMS2,Graduate School of Science, Nagoya Univ.3) *Shota Tsuru1, Masanari Nagasaka2, Yasuyuki Yamada3
11:06-11:24
1C08 Mechanism of cononsolvency on the PNIPAM polymers in aqueous methanol solutions studied by soft X-ray absorption spectroscopy
(IMS1,SOKENDAI2,IMSS3,Zhejiang Univ.4) *Masanari Nagasaka1,2, Fumitoshi Kumaki3, Yifeng Yao4, Jun-ichi Adachi3, Kenji Mochizuki4
11:24-11:42
1C09 Formation and recombination of solvated electrons in charge transfer reaction from OH- and CH3O- studied using ultrafast photoelectron spectroscopy.
(Graduate School of Science, Kyoto Univ.) *Yo-ichi Yamamoto, Toshinori Suzuki
11:42-12:00
1C10 How to measure work functions from aqueous solutions
(Kyoto University) *Stephan Thuermer

Venue E [Theory/Calculation]

9:18-9:36
1E02 Singular value decomposition analyses of polarizability and Raman intensity of π-conjugated hydrocarbons
(Graduate School of Informatics and Engineering, University of Electro-Communications) *Keigo Yamaguchi, Yoshihiro Yamakita
9:36-9:54
1E03 Possible roles of I3- and I5- in iodine-starch reaction by first-principle electronic structure calculations
(School of Science, The University of Tokyo) *Megumi Takahashi, Erik Lötstedt, Kaoru Yamanouchi
9:54-10:12
1E04 Time-dependent one-electron function in double ionization of He in intense laser fields
(Graduate School of Arts and Sciences, The University of Tokyo1,Graduate School of Science, The University of Tokyo2) *Naoki Negishi1, Tsuyoshi Kato2, Kaoru Yamanouchi2
10:12-10:30
1E05 Vibronic Couplings and Spin-Orbit Couplings in Intersystem Crossing Processes
(FIFC, Kyoto Univ.1,Graduate School of Engineering, Kyoto Univ.2,MOLFEX, Inc.3) *Ota Wataru1,2, Uejima Motoyuki3, Sato Tohru1,2
10:48-11:06
1E07 Why is ring-opening harder than ring-closure and their quantum yield sum below unity in many 6π-electrocyclic photoreactions?
(Mitsubishi Chemical Corporation1,Kumamoto University2,Japan Atomic Energy Agency3) *Takao Kobayashi1, Shinichiro Nakamura2, Motoyuki Shiga3
11:06-11:24
1E08 Electron correlation effect in uranium isotope fractionation in equilibrium system
(Graduate School of Advanced Science and Engineering, Hiroshima University1,Graduate School of Science, Tokyo Metropolitan University2) *Ataru Sato1,2, Minori Abe1,2, Masahiko Hada2
11:24-11:42
1E09 Development of long-range corrected density functional theory based on the infinite-order two-component method
(Graduate School of ASE, Waseda Univ.1,WISE, Waseda Univ.2) *Chinami Takashima1, Hiromi Nakai1,2
11:42-12:00
1E10 Calculation of the core ionization energy by Slater's transition state theory
(Fukui Institute, Kyoto Univ.1,RIKEN2,Graduate School of Engineering, Nagasaki Univ.3) *Kimihiko Hirao1,2, Takahito Nakajima2, Bun Chan3

Tuesday Afternoon Sessions

Venue A [Gas phase]

15:33-16:09
1A12 [Young Scientist Award Talk] Production of attosecond electron pulses and the applications to electron diffraction
(RIKEN Cluster for Pioneering Research and RIKEN Center for Advanced Photonics, RIKEN1,Graduate School of Engineering, The University of Tokyo2) *Yuya Morimoto1,2
16:09-16:27
1A14 Predicting laser-induced 3D alignment control mechanisms of asymmetric top molecules by using machine learning
(Graduate School of Science, Tohoku Univ.) *Tomotaro Namba, Yukiyoshi Ohtsuki
16:27-16:45
1A15 Molecular size effect on the time constant of x-ray Induced nonadiabatic transition in aromatic molecules
(RAP, RIKEN1,JST-PRESTO2) *Kaoru Yamazaki1,2, Katsumi Midorikawa1
17:03-17:21
1A17 High-resolution laser spectroscopy of the 16218 cm-1 band of the NO2 radical A-X transition
(Graduate School of Engineering, Kyoto Univ.1,Faculty of Science, Kobe Univ.2,Molecular Photoscience Research Center, Kobe Univ.3) *Kohei Tada1, Honoka Minamide2, Takumi Yoshizawa2, Shunji Kasahara3
17:21-17:39
1A18 Reinvestigation of rotational spectrum of N-ethylacetamide ---observation of pseudo a-type transitions---
(Graduate School of Science and Engineering, Sophia Univ.1,Univ. of Electrro-Communications2,Graduate Univ. for Advanced Studies3) *Yoshiyuki Kawashima1, Nobuhiko Kuze1, Koichi Yamada2, Eizi Hirota3
17:39-17:57
1A19 Six-dimensional model analysis and intermolecular vibrational spectroscopy of benzene-methane vdW complex
(School of Science, Tokyo Institute of Technology) *Toru Sasaki, Masaaki Nakamura, Yasuhiro Ohshima
17:57-18:15
1A20 Isomerization among the isomers of 2-hexenal and 3-hexenal by Fourier transform microwave spectroscopy
(Graduate School of Science and Technology、Sophia Univ.) *Nobuhiko Kuze, Ryoto Ozawa, Yoshiyuki Kawashima

Venue B [Surface/Interface]

15:15-15:33
1B11 CH4 activation on surfaces of non-transition metal oxides for the synthesis of porous nanographene materials
(Dept. Chem. Sci. Eng., Tokyo Tech1,IMR, Tohoku Univ.2,QMUL, UK3) *Masanori Yamamoto1, Qi Zhao3, Devis Di tommaso3, Kaoru Yamazaki2
15:33-15:51
1B12 Effects of boundary and quadrupole at bulk in calculations of sum frequency generation spectra
(Graduate School of Science, Tohoku Univ.) *Tomonori Hirano, Akihiro Morita
15:51-16:09
1B13 Proton orientation in ice thin films on pt vicinal surfaces studied by heterodyne-detected vibrational sum-frequency generation spectroscopy
(Graduate School of Science, Kyoto Univ.) *Naoki Nagatsuka, Noboru Shibata, Shota Kamibashira, Takanori Koitaya, Kazuya Watanabe
16:09-16:27
1B14 Mechanism of ultrafast photochemical reaction of phenol at water surface
(Faculty of Engineering, Univ. of Toyama1,RIKEN2,Graduate School of Science, Tohoku Univ.3) Tatsuya Ishiyama1, Tahei Tahara2, *Akihiro Morita3
16:45-17:21
1B16 Experimental and theoretical SFG spectroscopy of water surface: past and future
(Graduate School of Science and Engineering, Saitama University) *Shoichi Yamaguchi
17:21-17:39
1B18 Ultrafast structural fluctuation of the hydrogen bonding network at the air/isotopically diluted water interface observed by interferometric 2D HD-VSFG spectroscopy
(Molecular Spectroscopy Laboratory, RIKEN1,Ultrafast Spectroscopy Research Team, RIKEN Center for Advanced Photonics (RAP), RIKEN2) *Woongmo Sung1, Subhadip Roy1, Satoshi Nihonyanagi1,2, Tahei Tahara1,2
17:39-17:57
1B19 Interaction between water-soluble dyes and lipid monolayers at the air/aqueous solution interface studied by HD-VSFG spectroscopy
(Graduate School of Science and Technology University of Tsukuba) *Ryosuke Shinoda, Masato Kondoh, Atsuya Momotake, Taka-aki Ishibashi
17:57-18:15
1B20 IV-SFG studies on the surface structure of Li-salt based deep eutectic solvent
(Dept. of Mat. Sci. and Eng., Tokyo Tech.) Kaito Haruna, Takashi Iwahashi, *Yukio Ouchi

Venue C [Liquid phase]

15:15-15:33
1C11 Depletion structure common to hydrophobic and hydrophilic materials aqueous solutions
(Department of Liberal Arts and Sciences, Kagoshima College1,Department of Frontier Biosciences, Nagahama Univ.2,Department of Mathematics, Tokai univ.3,College of Humanities and Sciences, Nihon Univ.4) *Satoshi Shibuta1, Hiroshi Imamura2, Kota Shibuta3, Ken Judai4
15:33-15:51
1C12 Concentration dependence of viscosity estimated from Brownian motion of microparticles suspended in aqueous acetonitrile solution
(National Institute of Technology, Ariake College1,College of Humanities and Sciences, Nihon Univ.2) *Kazuki Furukawa1, Ken Judai2
15:51-16:09
1C13 Thermoelectric conversion utilizing the entropy of micellization
(Graduate School of Science, Tokyo Univ.) *Mizuha Ujita, Hongyao Zhou, Teppei Yamada
16:09-16:27
1C14 Development of stimuli-responsive photoluminescent liquids
(SCRI1,Faculty of Eng. Des., Kagawa Univ.2) *Kyosuke Isoda1,2, Takumi Omura1, Hidenori Aihara1
16:45-17:03
1C16 Ultrafast dynamics in an azide under vibrational strong coupling
(NAIST1,UCSD2) *Garrek Stemo1, Joel Nishiuchi1, Harsh Bhakta2, Haochuan Mao2, Garret Wiesehan2, Wei Xiong2, Hiroyuki Katsuki1
17:03-17:21
1C17 Multiquantum vibrational excitation and relaxation dynamics of liquid-phase CO2 molecules observed by infrared pump-probe spectroscopy
(IIS, The Univ. of Tokyo) *Ikki Morichika, Tsusaka Hiroki, Qiuming Wan, Satoshi Ashihara
17:21-17:39
1C18 Water Concentration Dependence of Low-Frequency Spectrum in Hydrated Ionic Liquids Having Different Kosmotropicity
(Department of Chemistry, Chiba University1,Department of Pathophysiology, Tokyo University of Pharmacy and Life Sciences2) *Maharoof Koyakkat1, Kyoko Fujita2, Hideaki Shirota1
17:39-17:57
1C19 Infrared spectroscopy of isolated molecules having a dimethyl group in CCl4
(Doshisha University1,Sogang University2) *Koji Osawa1, Jae jin Lee2, Doseok Kim2
17:57-18:15
1C20 Substituent effects on bonding characteristics of cyclopentane-1,3-diradicals monitored by time-resolved IR spectroscopy
(Grad. Sch. Pure and Appl. Sci., Univ. of Tsukuba1,Graduate School of Advanced Science and Engineering2) *Masato Kondoh1, Shunsuke Kuboki1, Hidetaka Kume1, Eriku Oda1, Manabu Abe2, Taka-aki Ishibashi1

Venue D [Solid phase]

15:15-15:33
1D11 Emission wavelength control and proton conductivity of a transparent film with pH-responsive Pt-NHC complex incorporated into Nafion membrane.
(College of Humanities and Sciences, Nihon Univ) *Chihiro Shibuya, Hajime Kamebuchi, Biao Zhou
15:33-15:51
1D12 Analysis of fluorescence depletion under concerting two-photon exciting processes
(RIBM Co.RIBM1,Graduate School of Science, Kyushu Univ.2) *Yoshinori Iketaki1, Hideaki Kano2
15:51-16:09
1D13 Selective ammonia adsorption and luminescent response in a Re(V) complex with Lewis acid sites
(Institute for Materials Research, Tohoku Univ.1,Graduate School of Science, Kyushu Univ.2) *Haruka Yoshino1, Takumi Ehara2, Kiyoshi Miyata2, Ken Onda2, Masaaki Ohba2, Hitoshi Miyasaka1
16:09-16:45
1D14 Elucidation and Control of Microscopic Mechanisms in Molecular Photofunctional Materials
(Graduate School of Science, Kyushu Univ.) *Kiyoshi Miyata
17:03-17:21
1D17 Structures and photophysical properties of zinc(II) complex coordinated by axially chiral Schiff base type ligand
(Graduate School of Sci. and Eng., Ibaraki University1,Graduate School of Life and Environmental Sciences, Kyoto Prefectural University2,Graduate School of Science, Tokyo Metropolitan University3,Graduate School of Science, Kitasato University4) *Daiki Tauchi1, Reichi Kobayashi3, Misato Sakai2, Katsuya Kanno1, Masashi Hasegawa4, Yasuhiro Mazaki4, Kazunori Tsubaki2, Kei-ichi Sugiura3, Seiji Mori1, Hiroyuki Nishikawa1
17:21-17:39
1D18 Development of circularly polarized organic light-emitting diodes using chiral perylenediimide derivatives as CPL emitters
(Graduate School of Sccience and Engineering, Ibaraki University1,Kitasato University2) *Hiroyuki Nishikawa1, Kazuyuki Asahi1, Masashi Hasegawa2, Yasuhiro Mazaki2
17:39-17:57
1D19 H2/D2 separation using solid-state dihydrogen complexes
(Graduate School of Science, Tohoku University1,Faculty of Environmental Earth Science, Hokkaido University2) *Shinya Takaishi1, Tamon Yamauchi1, Kaiji Uchida1, Naoki Kishimoto1, Shini-ichiro Noro2
17:57-18:15
1D20 Separation of acid molecules by a novel porous zirconium metal–organic framework having small-sized pores and high acid tolerance
(Graduate School of Science, Tokyo University of Science) *Kyoko Shiraishi, Masaaki Sadakiyo

Venue E [Theory/Calculation]

15:15-15:33
1E11 Quantum chemistry with accurate solutions of the Schrödinger equation
(Quantum Chemistry Research Institute) *Hiroshi Nakatsuji
15:33-15:51
1E12 Free Complement method with Gaussian functions: r-Gaussian function and its integration
(QCRI) *Yusaku Kurokawa, Hiroshi Nakatsuji
15:51-16:09
1E13 Local N-electron valence state perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals
(Graduate School of Science, Nagoya University1,Institute of Transformative Bio-Molecules2) *Kazuma Uemura1, Masaaki Saitow1, Takaki Ishimaru1, Takeshi Yanai1,2
16:09-16:27
1E14 Adaptive Quantum Inverse Iteration for Excited States
(Graduate School of System Informatics, Kobe Univ.1,JST PRESTO2) Takahiro Yoshikura1, Seiichiro Ten-no1, *Takashi Tsuchimochi1,2
16:45-17:03
1E16 Quantum-Selected Configuration Interaction: Diagonalizing many-electron Hamiltonian in quantum-selected subspace
(QunaSys1,Graduate School of Engineering Science, Osaka Univ.2,QIQB, Osaka Univ.3) Keita Kanno1, *Masaya Kohda1, Ryosuke Imai1, Sho Koh1, Kosuke Mitarai2,3, Wataru Mizukami2,3, Yuya o. Nakagawa1
17:03-17:21
1E17 First principle simulation with Natural-expansion ansatz using quantum computer
(Graduate School of Engineering, Tokyo Univ.1,IBM Quantum2) *Hiroki Gi1, Yuki Orimo1, Kenichi Ishikawa1, Yukio Kawashima2, Tanvi Gujarati2, Takeshi Sato1
17:21-17:39
1E18 Exploration of molecular nonadiabatic dynamics simulation by Natural Expansion method using quantum computer
(Graduate School of Engineering, Tokyo Univ1,IBM Quantum2) *Chihiro Osaku1, Yuki Orimo1, Takeshi Sato1, Ishikawa Kennichi1, Yukio Kawashima2, Tanvi Gurajati2
17:39-17:57
1E19 Orbital Optimize Method in ADAPT VQE
(Graduate School of Engineering, Tokyo University.) *Jianfei Yang, Orimo Yuki, Kenichi Ishikawa, Takeshi Sato
17:57-18:15
1E20 Construction of antisymmetrized variational quantum states with real space representation
(TCRDL) *Takahiro Horiba, Shirai Soichi, Hirotoshi Hirai