41st Symposium on Chemical Kinetics and Dynamics

Program


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Invited Lectures: (40 min, including discussion)
IL1
"Tunnel-Electron Momentum Imaging of Gas-Phase Molecules in Intense Laser Fields"
 Hishikawa, Akiyoshi (Nagoya University)
 June 2, 10:40 - 11:20
IL2
"Dynamics of atoms and molecules under the influence of intense laser pulses"
 Tiwari, Ashwani K. (Indian Institute of Science Education and Research, Kolkata)
 June 2, 11:20 - 12:00
IL3
"Nuclear quantum effects in semiclassical and mixed quantum-classical nonadiabatic molecular dynamics"
  Zhu, Chaoyuan (National Yang Ming Chiao Tung University)
 June 3, 9:30 - 10:10
IL4
"Numerical analysis of the pathway selection in fully reversible chemical reaction networks"
  Takahashi, Satoshi (The University of Tokyo)
 June 3, 10:10 - 10:50
IL5
"Absolute rate constants and branching fractions for low temperature reactions and inelastic collisions of astrophysical interest"
  Sims, Ian (University of Rennes)
 June 3, 15:45 - 16:25
IL6
"Elementary reaction rate constants of organic free radicals in liquid phase as measured by the laser synchronized pulsed ESR method"
  Kawai, Akio (Kanagawa University)
 June 4, 9:30 - 10:10
IL7
"Exploring dynamics in molecular systems using quantum science and technology"
  Ishizaki, Akihito (The University of Tokyo)
 June 4, 15:10 - 15:50

Oral Presentations: (June 2-4)
1A1 - 3A6 (15 min talk with 10 min discussion)

Poster Presentations:
1P01 - 1P28 (June 2, 15:00 - 16:30)
2P01 - 2P27 (June 3, 14:00 - 15:30)
3P01 - 3P27 (June 4, 13:30 - 15:00)

Oral PresentationsDay 1 (June 2)   Day 2 (June 3)   Day 3 (June 4)
Poster PresentationsSession 1 (June 2)   Session 2 (June 3)   Session 3 (June 4)





Day 1 (June 2)


9:05 - 9:10 Opening Remarks


9:10 - 10:25 Oral Presentations (Chair: Nanbu, Shinkoh)

1A1
Impact of C5 Methylation on Nonadiabatic Transition and Photohydration Damage of Nucleosides
Ghosh, Srijon1; Obara, Yuki1; Jaiswal, Vishal Kumar2; Taddei, Mario2; Nenov, Artur2; Conti, Irene2; Garavelli, Marco2; Suzuki, Toshinori1
(1Kyoto University, 2Universita degli Studi Bologna)

1A2
Solvent Effects on Ambimodal Diels-Alder/Dipolar Cycloadditions: Classical and Ring-Polymer Molecular Dynamics with Explicit Solvation
Nakagawa, Shoto1; Matsubuchi, Hayato1; Ota, Haruki1; Takayanagi, Toshiyuki1; Murakami, Tatsuhiro2
(1Saitama University, 2Tokyo Metropolitan University)

1A3
Solvent effects on the photoreaction dynamics of cis-stilbene: A QM/MM nonadiabatic molecular dynamics study
Wada, Satoi1; Minegishi, Yusuke1; Tsutsumi, Takuro1; Taketsugu, Tetsuya1
(1Hokkaido University)


10:25 - 10:40 Coffee/Tea Break


10:40 - 12:00 Oral Presentations (Chair: Sekikawa, Taro)

IL1
Tunnel-Electron Momentum Imaging of Gas-Phase Molecules in Intense Laser Fields
Hishikawa, Akiyoshi
(Nagoya University)

IL2
Dynamics of atoms and molecules under the influence of intense laser pulses
Tiwari, Ashwani K.
(Indian Institute of Science Education and Research, Kolkata)


12:00 - 13:30 Lunch Break


13:30 - 14:45 Oral Presentations (Chair: Horio, Takuya)

1A4
Ultrafast state-selective dynamics of electronically excited N2+ by pump-probe measurements using few-cycle near-infrared laser pulses and high-order harmonics
Yamada, Kana1; Ando, Toshiaki1; Iwasaki, Atsushi1; Yamanouchi, Kaoru1
(1The University of Tokyo)

1A5
Formation of I 4d double-core-hole states of CH3I in strong EUV-FEL fields studied by electron-ion coincidence spectroscopy
Fushitani, Mizuho1,2; Hikosaka, Yasumasa2,3; Owada, Shigeki2,4; Hishikawa, Akiyoshi1,2,5
(1Nagoya Univ., 2RIKEN SPring-8 Center, 3Univ. of Toyama, 4JASRI, 5RCMS, Nagoya Univ.)

1A6
Ultraviolet photodynamics in iodopropane isomers studied by time-resolved momentum imaging with extreme ultraviolet photoionization
Kumagai, Yoshiaki1,2; Allum, Felix3,4,5; Nagaya, Kiyonobu6; Harries, James R.7; Iwayama, Hiroshi8,9; Britton, Mathew5; H. Bucksbaum, Philip4; Burt, Michael10,11; Brouard, Mark10; Downes-Ward, Briony12; Driver, Taran5; Heathcote, David10; Hockett, Paul13; J. Howard, Andrew4; W. L. Lee, Jason3; Liu, Yusong4; Kukk, Edwin14; W. McManus, Joseph10; Milěsević, Dennis10; S. Minns, Russell12; Niozu, Akinobu15; Niskanen, Johannes14; J. Orr-Ewing, Andrew16; Owada, Shigeki17,18; Robertson, Patrick10,19; Rolles, Daniel20; Rudenko, Artem20; Ueda, Kiyoshi21; Unwin, James10; Vallance, Claire10; Walmsley, Tiffany10; N. R. Ashfold, Michael16; Forbes, Ruaridh5,22
( 1Nara Women’s University, 2Tokyo University of Agriculture and Technology, 3Deutsches Elektronen-Synchrotron (DESY), 4Stanford PULSE Institute, SLAC, 5Linac Coherent Light Source, SLAC, 6Kyoto University, 7QST, 8Institute for Molecular Science, 9Sokendai, 10University of Oxford, 11Trent University, 12University of Southampton, 13National Research Council of Canada, 14University of Turku, 15Hiroshima University, 16University of Bristol, 17RIKEN SPring-8 Center, 18Japan Synchrotron Radiation Research Institute, 19University of Nottingham, 20Kansas State University, 21 Tohoku University, 22 University of California, Davis)


14:45 - 15:00 Break (Proceed to the Poster Session Venue)


15:00 - 16:30 Poster Session 1  


16:30 - 16:45 Break (Return to the Oral Session Venue)


16:45 - 17:35 Oral Presentations (Chair: Murakami, Tatsuhiro)

1A7
Ring-opening via conical intersections in thiophene revealed by extreme ultraviolet time-resolved photoelectron spectroscopy
Zhou, Zhiyi1; Wada, Satoi2; Arai, Yuto1; Kambara, Ryuto3; Taketsugu, Tetsuya2,4; Sekikawa, Taro1
(1Dept. of Applied Physics, Fac. of Eng., Hokkaido Univ., 2WPI-ICReDD, Hokkaido Univ., 3Grad. Sch. of Chem. Sci. & Eng., Hokkaido Univ., 4Dept. of Chemistry, Fac. of Sci., Hokkaido Univ.)

1A8
First observation of sequential photochemical and thermal ring-opening dynamics in 1,3-cyclohexadiene
Lu, Bateer1; Sekikawa, Taro1
(1Hokkaido University)





Day 2 (June 3)


9:30 - 10:50 Oral Presentations (Chair: Hasegawa, Jun-ya)

IL3
Nuclear quantum effects in semiclassical and mixed quantum-classical nonadiabatic molecular dynamics
Zhu, Chaoyuan
(National Yang Ming Chiao Tung University)

IL4
Numerical analysis of the pathway selection in fully reversible chemical reaction networks
Takahashi, Satoshi
(The University of Tokyo)


10:50 - 11:05 Coffee/Tea Break


11:05 - 11:55 Oral Presentations (Chair: Sumiya, Yosuke)

2A1
An efficient approximation of the timescale hierarchies in a large-scale first-order kinetics
Nagata, Yutaka1; Toda, Mikito1,2,3; Komatsuzaki,Tamiki1,4,5,6
(1RIES, Hokkaido University, 2Research Institute for Engineering, Kanagawa University, 3Graduate School of Information Science, University of Hyogo, 4WPI-ICReDD, Hokkaido University, 5Department of Chemistry, Faculty of Science, Hokkaido University, 6OTRI, Osaka University)

2A2
Exploration of chemical reaction pathways by quantum walk
Tsuoka, Kazuki1; Nishi, Takanori1,2; Kaoru, Yamanouchi1,2
(1School of Science, The Univ. of Tokyo, 2Institute for Attosecond Laser Facility, The Univ. of Tokyo)


11:55 - 14:00 Lunch Break


14:00 - 15:30 Poster Session 2  


15:45 - 17:15 Oral Presentations (Chair: Kumagai, Yoshiaki)

IL5
Absolute rate constants and branching fractions for low temperature reactions and inelastic collisions of astrophysical interest
Sims, Ian
(University of Rennes)

2A3
Observation of Rabi oscillation between the inversion splitting doubling in ammonia
Ardelia, Mellisa1; Ueno, Kazuki1; Saida, Ryota1; Nakamura, Masaaki1; Ohshima, Yasuhiro1
(1Graduate School of Science, Institute of Science Tokyo)

2A4
Hydrogen momentum spectroscopy of small hydrocarbon molecules
Minemoto, Shinichirou1; Kanaya, Satoru1; Sugai, Takuma1; Jones, Darryl2; Takahashi, Masahiko1
(1IMRAM, Tohoku University, 2Flinders University)


17:30 - Banquet





Day 3 (June 4)


9:30 - 11:00 Oral Presentations (Chair: Ishibashi, Atsuki)

IL6
Elementary reaction rate constants of organic free radicals in liquid phase as measured by the laser synchronized pulsed ESR method
Kawai, Akio
(Kanagawa University)

3A1
Combined experimental and computational study of ionization-induced reactions on propanol ice surfaces
Majima, Takuya1; Otsuka, Sota1; Jifuku, Shuntaro1; Murakami, Tatsuhiro2; Tsuchida, Hidetsugu1; Saito, Manabu1
(1Kyoto University, 2Tokyo Metropolitan University)

3A2
Photodesorption of hydroxyl radical on ice induced by visible light
Sie, Ni-En1; Tsuge, Masashi1,2; Nakai, Yoichi3; Watanabe, Naoki1
(1Hokkaido University, 2Hiroshima University, 3RIKEN Nishina Center for Accelerator-based Science)


11:00 - 11:15 Coffee/Tea Break


11:15 - 12:05 Oral Presentations (Chair: Hamada, Morihiko)

3A3
Oxygen reactivity of surface-supported pure and boron-doped aluminum superatoms
Inoue, Tomoya1; Nakajima, Atsushi1
(1Keio University)

3A4
Effects of nanosecond pulsed electric field on brain and pancreatic cells and fluorescence microscopy with particular attention to the difference between cancerous and normal cells
Ohta, Nobuhiro1; Awasthi, Kamlesh1; Bai, Dong-Jie1; Wei, Chun-Yen1; Hsu, Hsin-Yun1
(1National Yang Ming Chiao Tung University (NYCU))


12:05 - 13:30 Lunch Break


13:30 - 15:00 Poster Session 3  


15:10 - 16:40 Oral Presentations (Chair: Komatsuzaki, Tamiki)

IL7
Exploring dynamics in molecular systems using quantum science and technology
Ishizaki, Akihito
(The University of Tokyo)

3A5
Two-dimensional electronic spectroscopy of light-harvesting phycobiliproteins synthesized by recombinant DNA techniques
Tsubouchi, Masaaki1,2; Fujita, Takatoshi2; Adachi, Motoyasu2; Itakura, Ryuji1
(1Kansai Institute for Photon Science, QST, 2Institute for Quantum Life Science, QST)

3A6
Reaction of fluoride ions at the electrode–electrolyte interface for high energy density batteries
Minato, Taketoshi1,2; Tabtimtong, Nicha1,3; Kaisook, Pattanapon1,3; Tenaillon Johan, 14; Athikaphan Pakpoom5,1; Imai, Yumiko1; Ueda, Tadashi1; Nakamoto, Kei-ichi1,6; Neramittagapong, Arthit3; Neramittagapong, Sutasinee3
(1Institute for Molecular Science, 2Spin-L, 3Khon Kaen Univ., 4Chimie-ParisTech ENSCP, 5National Institutes of Natural Science, 6NAIST)


16:40 - 17:00 Poster Award Ceremony


17:00 - 17:10 Closing Remarks




Poster Presentations
Presentations by students are marked with *


Session 1 (June 2, 15:00 - 16:30)

1P01*
Floquet-theory-based nonadiabatic ab initio molecular dynamics for analyzing chemical reactions in strong laser fields
Kambara, Ryuto1; Tsutsumi, Takuro1; Taketsugu, Tetsuya1
(1Hokkaido University)

1P02
Femtosecond laser filament reaction in gaseous hexane studied by time-of-flight mass spectrometry with velocity screening
Matsuda, Akitaka1; Okumura, Yuya1; Hashigaya, Kasumi1; Hishikawa, Akiyoshi1
(1Nagoya University)

1P03*
Nonadiabatic internal conversion of S2 and isomerization dynamics of silabenzene
Sato, Hazuki1; Kimura, Mizuki1; Nanbu, Shinkoh2
(1Graduate School of Science and Technology, Sophia University, 2Faculty of Science and Technology, Sophia University)

1P04
Photofragment imaging of oriented methyl/ethyl bromide (CH3Br, C2H5Br) for the assessment of their transition dipole moments
Kawamata, Hiroshi1; Nakamura, Masaaki2; Che, Dock-Chil3
(1Hokkaido University, 2Institute of Science Tokyo, 3Osaka University)

1P05*
Suppression of twisted intermediate formation in uracil by C6 methylation
Aki, Yoshino1; Ghosh, Srijon1; Obara, Yuki1; Suzuki, Toshinori1
(1Kyoto University)

1P06*
Theoretical study on C5 substituent effects on the excited-state relaxation dynamics of pyrimidine bases
Kobayashi, Yuto1; Kambara, Ryuto1; Minegishi, Yusuke1; Wada, Satoi1; Taketsugu, Tetsuya1
(1Hokkaido University)

1P07
Observations of vibrational wavepackets of N2 and N2+ generated in air plasma
Endo, Tomoyuki1; Mashiko, Hiroki2; Sako, Tokuei3; Oguri, Katsuya2; Itakura, Ryuji1
(1QST, KPSI, 2NTT BRL, 3Nihon University)

1P08*
Photoelectron circular dichroism of epichlorohydrin in near-infrared intense laser fields studied by electron-ion coincidence momentum imaging
Ogawa, Kazumi1; Kuroda, Runa1; Matsuda, Akitaka1; Hishikawa, Akiyoshi1,2
(1Grad. Sc. Sci, Nagoya U., 2RCMS, Nagoya U.)

1P09*
Multimodal Energy Landscape Underlying Adhesive Interface Peeling
Kubo, Koki1; Sumiya, Yosuke1
(1Yamaguchi University)

1P10*
Predicting Product Branching in Post-Transition State Bifurcation Reactions via Molecular Dynamics Simulations
Okamoto, Daichi1; Yamaki, Keita1; Hayashi, Daiki1; Nakagawa, Shota1; Matsubuchi, Hayato1; Sasaki, Yuki1; Takayanagi, Toshiyuki1; Murakami, Tatsuhiro2
(1Saitama University, 2Tokyo Metropolitan University)

1P11
Robust High-Order Derivative Evaluation for Phase-Space Reaction Dynamics Using Chebyshev Polynomial-Based Spectral Differentiation
Umer, Umair1; Li, Jizhou2; Komatsuzaki, Tamki1,2; Staub, Ruben1; Taketsugu, Tetsuya1; Yagi, Kiyoshi3
(1ICReDD, Hokkaido University, 2RIES, Hokkaido University, 3Department of Chemistry, University of Tsukuba)

1P12*
Development of a fluctuation-assisted molecular dynamics method for the efficient sampling of chemical reactions
Tsukamura, Sei1; Nishimura, Yoshifumi2; Nakai, Hiromi1,2
(1Grad. Sch. Adv. Sci. Eng., Waseda University, 2WISE, Waseda University)

1P13*
Dynamical Effects Beyond Kinetic Analysis Based on Reaction Path Networks: An Ab Initio Molecular Dynamics Study
Takizawa, Soei1; Tsutsumi, Takuro1; Ono, Yuriko1; Sada, Kazuki1; Taketsugu, Tetsuya1
(1Hokkaido University)

1P14
A Reusable Explicit Chemical Ontology-Based Method to Expedite Reaction Path Searches
Nath, Pinku1; (1WPI-ICReDD, Hokkaido University)

1P15*
Analysis of the Product Branching Boundary Determining Reaction-Path Bifurcation
Suzuki, Jidai1; Nakanishi, Tatsuhiro1; Kambara, Ryuto1; Ono, Yuriko2,3; Taketsugu, Tetsuya2,4
(1Grad. School Chem. Sci. Eng., Hokkaido Univ., 2Fac. Sci., Hokkaido Univ., 3Institute for Quantum Chemical Exploration, 4WPI-ICReDD, Hokkaido Univ.)

1P16
Merged-beam experiment on a low-energy ion-neutral reaction study
Dhongade, Siddhant1,; Tamaru, Hiroya1; Ota, Rin1; Bllantyne, Lucius Thaine1; Matsuzaki, Taichi1; Yabuki, Sorato1; Nakayama, Akifumi2; Nakano, Yuji1
(1Department of Physics, Rikkyo University, 2Earth-Life Science Institute, Institute of Science Tokyo)

1P17*
Entropic advantage and induction-mediated polarization in the adsorption of cyclic oligomers on fullerene surfaces
Arima, Sota1; Yamamoto, Takuya2; Sato, Shin-ichiro2
(1Grad. School Chem. Sci. Eng., Hokkaido Univ., 2Div. Appl. Chem., Fac. Eng., Hokkaido Univ.)

1P18
Surface reactions of sulfur-bearing molecules with hydrogen atoms on amor-phous solid water
Nguyen, Thanh1,2; Oba, Yasuhiro1; Sameera, W. M. C.1,3; Molpeceres, German4; Watanabe, Naoki1
(1Hokkaido University, 2Present address: Leiden University, 3University of Gothenburg, 4Institute de Fisica Fundamental (IFF-CSIC))

1P19*
Towards the Observation of Gas-Phase Vibrational Polaritons via Cavity Transmission Spectroscopy
Miyashita, Kaichi1; Mitsukawa, Eiyu1; Matsumoto, Yoshiteru2
(1Grad. Sch. Integr. Sci. Technol., Shizuoka Univ., 2Dept. Chem., Fac. Sci., Shizuoka Univ.)

1P20
Physical Adsorption and Conformational Changes of Figure-Eight Poly(ethylene glycol) on Gold Nanosheet Surfaces: A Molecular Dynamics Study
Kobayashi, Takuto1; Arima, Souta1; Yamamoto, Takuya1; Sato, Shin-ichiro1
(1Hokkaido University)

1P21*
Molecular Dynamics Simulation of the Rotational Relaxation Time of an Aptamer-Based Fluorescent Molecular Sensor in Aqueous Solution
Hashimoto, Kohei1; Arima, Sota1; Tokeshi, Manabu1; Yamamoto, Takuya1; Sato, Shinichiro1
(1Hokkaido University)

1P23*
Theoretical prediction of atomic diffusion energy at the ice surface under cryogenic conditions using the kinetic MC method.
Taniguchi, Riko1; Nakatani, Naoki1; Nakatani, Kaho1
(1Tokyo Metropolitan University)

1P24
Conformational Constraints in Ni Complexes for Tuning H2 Production and Oxidation: A DFT-Based Ligand Design Study
Hadsadee, S.1; Ratanasak, M.1; Naweephattana, P.1; Morita, S.1; Miyazaki, R.1; Iida, K.1; Nakayama, A.1; Jungsuttiwong, S.2; Hasegawa, J.1
(1Hokkaido University, 2Ubonrachatani University)

1P25*
Electron Momentum Spectroscopy Study of the Intramolecular Hydrogen Bond in Acetylacetone
Mohri, Fumiya1; Sato, Takumi1; Takahashi, Masahiko2; Ohshima, Yasuhiro1; Yamazaki, Masakazu1;3
(1Institute of Science Tokyo, 2Tohoku University, 3Keio University)

1P26
Electrochemical Behavior of BiF3-Based Electrodes in Liquid Electrolyte for Fluoride Shuttle Batteries
Athikaphan, Pakpoom1; Tabtimtong, Nicha2; Kaisook, Pattanapon2; Imai, Yumiko1; Ueda, Tadashi1; Neramittagapong, Arthit2,3; Sutasinee Neramittagapong, 23; Minato, Taketoshi1,4
(1Institute for Molecular Science, National Institutes of Natu, 2Department of Chemical Engineering, Faculty of Engineering,, 3Research Center for Environmental and Hazardous Substance Ma, 4Core for Spin Life Sciences, Okazaki Collaborative Platform,)

1P27*
Polar-molecule trajectory simulations for cluster isolation using a Stark deflector
Miwa, Yutaro1; Ardelia, Mellisa1; Nakamura, Masaaki1; Ohshima, Yasuhiro1
(1Institute of Science Tokyo)

1P28
Photochemical Reaction of Methylene Blue and Ascorbic Acid
Suzuki, Takahiro1; Ie, Kanon1; Kimura, Takayoshi1; Inoue, Masayuki1
(1Tokyo University of Science)





Session 2 (June 3, 14:00 - 15:30)

2P01*
Photodissociation dynamics of N,N-dimethylformamide: Generation of highly vibrational excited HCO
Karino, Momiji1; Shinohara, Ryo1; Inoue, Kosuke1; Yamasaki, Katsuyoshi1; Kohguchi, Hiroshi1
(1Hiroshima University)

2P02
High-Resolution Laser Spectroscopy of the S1←S0 transition of Fluorene: Perturbation analysis in the S1 sate
Kasahara, Shunji1; Minik, Luke1; Kuroda, Shinji1
(1Kobe University)

2P03*
Photoelectron Circular Dichroism in chiral molecules using 21.7eV HHG light
Matano, Shuhei1; Oshima, Ryunosuke1; Minemoto, Shinichiro2; Sekikawa, Taro1
(1Department of Applied Physics, Hokkaido University, 2IMRAM, Tohoku University)

2P04
Unimolecular decomposition of highly excited C2H4: Trajectory calculations of product branching
Matsugi, Akira1; Matsui, Hiroyuki2
(1AIST, 2NYCU)

2P05*
Simulation of post-ionization population inversion in CO2+ in an ultrashort intense laser pulse
Huang, Siwei1; Lötstedt, Erik1,2; Yamanouchi, Kaoru1,3
(1School of Science, The University of Tokyo, 2iTHEMS, RIKEN, 3I-ALFA, The University of Tokyo)

2P06
Relaxation dynamics via the S1 state of Ag3- probed by time-resolved photoelectron imaging
Kusaba, Yuri1; Aoki, Yuma1; Suzuki, Yuta1; Ushiki, Yuta1; Shimizu, Misaki1; Toyama, Yuki1; Terasaki, Akira1; Horio, Takuya1
(1Kyushu University)

2P07*
Microsolvation effects on photodissociation dynamics of the hemibonded (H2S)2+ ioncore
Shioura, Mitsuaki1; Koshiba, Takumi1; Kanno, Manabu1; Misaizu, Fuminori1; Fujii, Asuka1
(1Tohoku University)

2P08
High-resolution laser spectroscopy of the A-X transition of 14NO2 radical
Tada, Kohei1; Misono, Masatoshi1; Yoshizawa, Takumi2; Kishigami, Ko2; Kasahara, Shunji3
(1Faculty of Science, Fukuoka University, 2Faculty of Science, Kobe University, 3Center for Life Photonic Innovation, Kobe University)

2P09*
An analysis of charge migration in the McLafferty rearrangement utilizing natural reaction orbital method
Nakanishi, Tatsuhiro1; Takayama, Mitsuo2; Taketsugu, Tetsuya3,4
(1Grad. Sch. Chem. Sci. Eng., Hokkaido Univ., 2Grad. Nanobio., Yokohama City Univ., 3Dep. Chem., Fac. Sci., Hokkaido Univ., 4WPI-ICReDD, Hokkaido Univ.)

2P10*
Theoretical Design of Unactivated Arene Conversion Reactions Using Triazene Compounds
Nagano, Ayana1; Kokubu, Shusuke2; Yamakawa, Kazuhito2; Haraguchi, Ryosuke2; Sumiya, Yosuke1
(1Yamaguchi University, 2Chiba Institute of Technology)

2P11
Theoretical study on the thermal dissociation reaction of 3-methylaminopropylamine
Kanno, Nozomu1
(1Meijo University)

2P12*
What Underlies the Woodward-Hoffmann rules? A Reaction Analysis Based on Orbital Energies
Tsuruta, Masaya1; Mita, Tsuyoshi2; Taketsugu, Tetsuya2,3; Tsuneda, Takao2,4
(1Grad. Sch. Chem. Sci. Eng., Hokkaido Univ., 2WPI-ICReDD, Hokkaido Univ., 3Fac. Sci., Hokkaido Univ., 4Grad. Sch. System Informatics, Kobe Univ.)

2P13*
Quantifying the Contribution of Nonreactive Modes to Reaction Dynamics in Phase Space: Analytical Prediction of the Passage Time τ near a Saddle Point
Kurahashi, Ryo1; Li, Jizhou1; Tanaka, Ryoichi1; Umer, Umair1; Nagahata, Yutaka1; Mizuno, Yuta2; Komatsuzaki, Tamiki1
(1Hokkaido University, 2AIST)

2P14*
Development of a quadratic convergence two-point search algorithm using the Dynamical NEB method
Kanazawa, Ryosuke1; Nakatani, Naoki1; Nakatani, Kaho1
(1Tokyo Metropolitan University)

2P15*
Electronic Driving Factors in Outer-Sphere Electron Transfer Reactions: A Reactive Orbital Energy Theory Analysis
Yamada, Daisuke1; Tsuruta, Masaya1; Taketsugu, Tetsuya2,3; Tsuneda, Takao3,4
(1Grad. School Chem. Sci. Eng., Hokkaido Univ., 2Fac. Sci., Hokkaido Univ., 3WPI-ICReDD, Hokkaido Univ., 4Grad School of System Informatics, Kobe Univ.)

2P16
Heavy atom tunneling reactions on interstellar icy grain analogs
Tsuge, Masashi1,2; Molpeceres, Germán3; Sie, Ni-En1; Watanabe, Naoki1
(1Hokkaido University, 2Hiroshima University, 3IFF CSIC)

2P17*
Molecular orbital signatures in photoelectron circular dichroism of oxirane derivatives studied by a tunnel ionization theory
Kuroda, Runa1; Ogawa, Kazumi1; Uchida, Tomohide1; Nishimura, Koya1; Matsuda, Akitaka1; Hishikawa, Akiyoshi1,2
(1Grad. Sc. Sci, Nagoya U., 2RCMS, Nagoya U.)

2P18*
Experimental determination of N-atom surface diffusion activation energy based on the decay of surface number density due to diffusive recombination reactions
Endo, Tamaki1,2; Tsuge, Masashi2,3; Watanabe, Naoki2
(1Cosmosciences-Graduate School of Science, Hokkaido Univ., 2Institute of Low Temperature Science, Hokkaido Univ., 3ADSE, Hiroshima University)

2P19
Dynamical electronic structure change of metal oxide surface with oxygen defects under electric current revealed by first-principles computational method
Toyama, Shunsuke1; Iida, Kenji1; Hasegawa, Jun-ya1
(1Institute for Catalysis, Hokkaido University)

2P20*
Comparison of HCl dissociation behaviors on hexagonal (Ih) and amorphous ice clusters accounting for nuclear quantum effects
Sasaki, Yuki1; Ueno, Hinami1; Takayanagi, Toshiyuki1; Murakami, Tatsuhiro2
(1Saitama University, 2Tokyo Metropolitan University)

2P21
Reactions between low-energy CH3+ ions and a methanol solid surface at low temperatures
Nakai, Yoichi1; Hidaka, Hiroshi2; Watanabe, Naoki2
(1RIKEN Nishina Center, 2ILTS, Hokkaido University)

2P22*
Development of a new apparatus for atomic momentum spectroscopy at the world's highest incident electron energy
Kanaya, Satoru1; Minemoto, Shinichirou1; Jagutzki, Ottmar2,3; Takahashi, Masahiko1
(1IMRAM, Tohoku university, 2Institut für Kernphysik, Universität Frankfurt, 3RoentDek Handels GmbH)

2P23
Methanol formation via CH3 + OH reactions with transient diffusion on amorphous solid water at low temperatures
Hidaka, Hiroshi1; Iguchi, Arisa2; Ishibashi, Atsuki3; Tsuge, Masashi4; Oba, Yasuhiro1; Watanabe, Naoki1
(1Hokkaido University, 2The University of Electro-Communications, 3The University of Tokyo, 4Hiroshima University)

2P24*
Kinetic analysis of luminol chemiluminescence in dimethyl sulfoxide driven by dissolved oxygen under a nitrogen atmosphere
Ie, Kanon1; Suzuki, Takahiro2; Inoue, Masayuki2
(1Graduate School of Science, Tokyo University of Science, 2Tokyo University of Science)

2P25
Development and Application of a Conformational Analysis Method Combining MD Simulation and Ion Mobility Mass Spectrometry
Tashiro, Keisuke1; Ide, Yuki2; Taketsugu, Tetsuya1,2; Ohara, Kazuaki3; Yamaguchi, Kentaro3; Kobayashi, Masato1,2; Inokuma, Yasuhide2,4
(1Fac. Sci., Hokkaido Univ., 2WPI-ICReDD, Hokkaido Univ., 3Fac. Pharm. Sci., Tokushima Bunri Univ., 4Fac. Eng., Hokkaido Univ.)

2P26*
Development of Fourier Transform Three-Color Excitation Action Spectroscopy for Model-Free Analysis of Photo-Stationary States
Yamashita, Sayaka1; Inoue, Rinka1; Fukuda, Kai1; Wada, Akihide1
(1Kobe University)

2P27
Vibrational states and transition intensities based on variational vibrational theory
Sunaga, Ayaki1,2
(1Hokkaido University, 2Eötvös Loránd University)





Session 3 (June 4, 13:30 - 15:00)

3P01*
Substituent Effects on Electrocyclic Reactions: Ultrafast Ring-Opening of α-Phellandrene Stimulated by Impulsively Excited Molecular Vibrations
Zhou, Zhiyi1; Saita, Kenichiro2; Minegishi, Yusuke3; Taketsugu, Tetsuya4,5; Sekikawa, Taro1
(1Appl. Phys., Eng., Hokkaido Univ., 2Nanobiosci., Yokohama City Univ., 3Chem. Sci. Eng., Hokkaido Univ., 4Chem., Sci., Hokkaido Univ., 5WPI-ICReDD, Hokkaido Univ.)

3P02
Photochemical reaction of pyrene with CCl4 in alcohols
Watanabe, Akihiro1; Kanemura, Sakura1; Naruo, Nanami1
(1Kobe City College of Technology)

3P03*
Ion pair dissociation of carbon dioxide following absorption of a vacuum ultraviolet photon
Oda, Akiko1; Suzuki, Isao H.1; Odagiri, Takeshi1
(1Sophia University)

3P04
Rotational excitation of NO in an intense femtosecond laser field carrying orbital angular momentum
Fukahori, Shinichi1,2; Hasegawa, Hirokazu1,2
(1Graduate School of Arts and Sciences, The Univ. of Tokyo, 2Komaba Institute for Science, The Univ. of Tokyo)

3P05*
Photodissociation pathways of O4+ leading to singlet oxygen O2(a 1Δg) and O2(b 1Σg+) studied by mass-analyzed ion imaging
Watabe, Yu1; Koshiba, Takumi1; Ito, Yuri1; Kanno, Manabu1; Ohshimo, Keijiro2; Misaizu, Fuminori1
(1Graduate School of Science, Tohoku Univ., 2Hokkaido University of Education)

3P06
Mechanism of the delayed fragmentation of ethanol molecules upon VUV photoionization
Nakao, Tomohiko1; Kaneyasu, Tatsuo2,3; Yanagawaya, Takuma1; Iwayama, Hiroshi2; Majima, Takuya1
(1Kyoto University, 2Institute for Molecular Science, 3Sokendai)

3P07*
The relationship between photon energy and two translational energy components of the CH3 fragment in photodissociation of Zn(CH32
Morimoto, Takumi1; Okuda, Yuuka1; Haze, Misato1; Kohguchi, Hiroshi1
(1Hiroshima University)

3P08
Solvent effects on the ground and first excited states of aniline
Ohashi, Kazuhiko1
(1Kyushu University)

3P09*
Mechanochemical Reaction Path Analysis of Polymer Chain Cleavage
Mori, Itsuki1; Sumiya, Yosuke1
(1Yamaguchi Univ.)

3P10
Elucidation of the Mechanism of Bifurcation Control in Enzymatic Reactions Based on the Reaction Space Projector Method
Qu, Lihao1; Tsutsumi, Takuro1; Ono, Yuriko1; Taketsugu, Tetsuya1
(1Hokkaido University)

3P11*
Accelerating the Mechanistic Study of Triarylborane Catalysts through Virtual Borane
Hirose, Ken1; Maeda, Satoshi1,2; Matsuoka, Wataru1,2
(1Hokkaido University, 2WPI-ICReDD)

3P12*
Mechanistic Study on the Degradation of Aliphatic Amines for CO2 Capture Using Systematic Reaction Path Exploration

Toma, Shunta1; Sumiya, Yosuke1
(1Yamaguchi Univ)

3P13*
Machine-learning extraction of reaction coordinates and transition states in phase space
Noda, Takuto1; Md. Al Mehedi, Hasan2; Li, Jizhou2; Komatsuzaki, Tamiki1,2,3
(1CSE, Hokkaido University, 2RIES, Hokkaido University, 3WPI-ICReDD, Hokkaido University)

3P14*
Exploring Valley-Ridge Inflection Regions in Post-Transition State Bifurcation Reactions
Yamaki, Keita1; Okamoto, Daichi1; Hayashi, Daiki1; Nakagawa, Shoto1; Matsubuchi, Hayato1; Sasaki, Yuki1; Takayanagi, Toshiyuki1; Murakami, Tatsuhiro2
(1Saitama University, 2Tokyo Metropolitan University)

3P15*
Machine Learning-based Multi-objective Optimization of reaction condition of 211At Astatination Reactions
Kitano, Tomoyuki1; Hashiba, Shunnichi1; Ando, Masaya1; Iida, Keita1; Mukaimine, Akari1; Mizuno, Yuta2,1; Tabata, Koji1; Nakajima, Kohei1; Komatsuzaki, Tamiki1; Ogawa, Mikako1
(1Hokkaido University, 2AIST)

3P16*
Can Reactive Species Be Spontaneously Formed at the Air-Water Interface of Microdroplets? A Spray Ionization Mass Spectrometry Investigation
Kurokawa, Kei1; Enami, Shinichi1; Numadate, Naoki1
(1Tsukuba University)

3P17
Transient diffusion of radicals induced by surface reactions at 10 K
Ishibashi, Atsuki1,2; Hidaka, Hiroshi2; Iguchi, Arisa2; Watanabe, Naoki2
(1The University of Tokyo, 2Hokkaido University)

3P18*
Theoretical investigation of the structure and electronic properties of N2O adsorbed on an Ir20 cluster.
Uchiyama, Nino1; Taketsugu, Tetsuya1; Hinokuma, Satoshi2; Iwasa, Takeshi1
(1Hokkaido University, 2AIST)

3P19
A near-edge x-ray absorption fine structure study of products in ice film by monochromic soft x-ray irradiation
Nakagawa, Seiko1; Obata, Yui2; Baba, Yuji3; Yokoya, Akinari2,4
(1Tokyo Metropolitan Industrial Technology Research Institute, 2Ibaraki University, 3Japan Atomic Energy Agency, 4National Institutes for Quantum Science and Technology)

3P20*
Nonlinear photocurrent generation in SiO2 device by ω-2ω asymmetric strong laser fields
Kinoshita, Hiroshi1; Matsumoto, Ryutaro1; Fushitani, Mizuho1; Hishikawa, Akiyoshi1
(1Nagoya University)

3P21
Syntheses and evaluation of photocatalytic activities of the composites of antimony halide perovskites and graphitic carbon nitride
Akiyama, Sogo1; Iitaka, Fumiaki1; Kadota, Yusuke1; Mitsuke, Koichiro1,2; Ogata, Hironori1,2
(1Hosei University, 2Hosei Univ. Res. Cntr. Micro-Nano Technol.)

3P22*
Electron momentum spectroscopy of aniline: Towards molecular orbital imaging of the excited triplet state
Sato, Takumi1; Mori, Yutori1; Takahashi, Masahiko2; Ohshima, Yasuhiro1; Yamazaki, Masakazu1.3
(1Institute of Science Tokyo, 2Tohoku University, 3Keio University)

3P23
Toward Time-Resolved Core-Level Spectroscopy Beyond Oxygen K-edge Using an Ultrashort Soft X-ray Light Source
Ishii, Nobuhisa1; Sun, Hung-Wei1; Maruyama, Momoko1; Itakura, Ryuji1
(1Kansai Institute for Photon Science, QST)

3P24*
Distribution of ions at the air-water interface investigated by spray ionization mass spectrometry
Kosugi, Kento1; Numadate, Naoki1; Enami, Shinichi1
(1University of Tsukuba)

3P25
Synthesis and Optical Property of Eu doped Carbon Dots
Hamada, Morihiko1; Tanaka, Misaki1; Fuki, Masaaki2; Kobori, Yasuhiro2
(1Kobe City College of Technology, 2Kobe University)

3P26*
A Systematic Exploration of Nonradiative Decay Paths in Carbo[n]Helicenes(n=5-12): Role of Cyclization Paths
Kondo, Itsuki1; Harabuchi, Yu2,3; Akiyama, Seiji4; Nagata, Yuuya2,3,5; Maeda, Satoshi2,3,6
(1Graduate School of Chemical Sciences and Engineering, Hokkaido University, 2WPI-ICReDD, Hokkaido University, 3JST, ERATO, 4RIKEN, 5NIMS, 6Graduate School of Science, Hokkaido University)

3P27
The rate rules for the reactions of Alkenes with OH
Fushimi, Ryota1,2; Oguchi, Tatsuo1
(1Toyohashi University of Technology, 2National Institute of Technology, Hakodate College)