Tuesday, September 22 (13:20 - 14:50)
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
| 13:20-14:50 | 4P001 | Laser-induced molecular-alignment control landscape maps predicted by machine learning (Graduate School of Science, Tohoku Univ.) *Tomotaro Namba, Yukiyoshi Ohtsuki |
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| 13:20-14:50 | 4P002 | Infrared spectroscopy of nonane-(H2O)n (n>1) : Formation of O-H･･･C hydrogen bond and size dependency (Graduate School of Science,Tohoku Univ) *Shuma Ueno, Yoshiyuki Matsuda, Asuka Fujii |
| 13:20-14:50 | 4P003 | Generation of hydrogen molecular ions from stainless steel surface by femtosecond laser irradiation (Faculty of Pharmaceutical Sciences, Niigata University of Pharmacy1,Graduate School of Pharmaceutical Sciences, Niigata University of Pharmacy2,Division of Pharmacy, Niigata University Medical & Dental Hospital3,Department of Chemistry, School of Science,The University of Tokyo4) Tatsuro Shirota1, Masafumi Kobayashi2,3, *Kennosuke Hoshina1, Kaoru Yamanouchi4 |
| 13:20-14:50 | 4P004 | Highly Efficient Rotational Excitation in Nitric Oxide by Using Ultrashort Laser Source (School of Science, Tokyo tech) *Dai Ikeda, Yasuhiro Ohshima |
| 13:20-14:50 | 4P005 | Gas phase circular dichroism spectroscopy of bovine serum albumin anion produced by IR-laser ablation of droplet beam: High-sensitive detection by use of photoelastic modulator (Graduate School of Gakushuin Univ.) *Hanako Mizumura, Hiroya Asami, Jun-ya Kohno |
| 13:20-14:50 | 4P006 | High-resolution spectroscopy of dibenzothiophene using a single-mode UV laser (Graduate School of Science, Kobe Univ.1,MPRC, Kobe Univ.2) *Ikki Hosomi1, Shunji Kasahara2, Masaaki Baba2 |
| 13:20-14:50 | 4P007 | Identification of gas-phase cluster species using two-dimensional correlation spectroscopy and counting spectra (Graduate School of Pharmaceutical Sciences, Tohoku Univ.1,Faculty of science, Shizuoka Univ.2,Graduate School of Science, Tohoku Univ.3) *Kazunori Ban1, Daisuke Miyata1, Yoshiteru Matsumoto2, Hiroaki Takahashi1, Shin-ichi Morita3, Takakazu Nakabayashi1 |
| 13:20-14:50 | 4P008 | Development of an apparatus for studying stereodynamics of collision between electron and aligned polyatomic molecules (IMRAM, Tohoku Univ.1,Grad. Sch. Sci., Tohoku Univ.2) *Yuta Suzuki1, Yuuki Onitsuka1, Yukiyoshi Ohtsuki2, Masahiko Takahashi1 |
| 13:20-14:50 | 4P009 | Photodissociation dynamics of acyl halides by velocity map imaging (Graduate School of Science, Tokyo University of Science.) *Takuto Goto, Shoma Hoshino, Koichi Tsukiyama |
| 13:20-14:50 | 4P010 | Determination of the intermolecular potential energy surface of D2…HF (Graduate School of Science and Technology,Gunma Univ.1,School of Science and Technology,Gunma Univ.2) *Chiharu Kamahara1, Keisuke Asaka1, Mai Nakazawa2, Yoshihiro Sumiyoshi1 |
| 13:20-14:50 | 4P011 | Verification of laser hyperthermia and phase explosion in MALDI crystals: Laser post-Ionization approach (Faculty of Pharmaceutical Sciences, Niigata University of Pharmacy) *Tatsuro Shirota, Kennosuke Hoshina |
| 13:20-14:50 | 4P012 | Attempt to develop “ion carpet” electrodes for focusing ions in the low vacuum (Graduate School of Advanced Science and Engineering, Hiroshima University) *Jidai Iriguchi, Masahiro Koyama, Satoru Muramatsu, Yoshiya Inokuchi |
| 13:20-14:50 | 4P013 | Development of a tandem time-of-flight mass spectrometer based on a reflectron for IR-IR dip double resonance spectroscopy (School of Science, Tokyo Institute of Technology1,Laboratory for Chemistry and Life Science, Tokyo Institute of Technology2,Graduate School of Science, Tokyo University of Science3,School of Life Science and Technology, Tokyo Institute of Technology4) *Kiminari Oh1,2, Satoru Tanabe3,2, Keisuke Hirata1,2, Shun-ichi Ishiuchi1,2, Masaaki Fujii2,4 |
| 13:20-14:50 | 4P014 | Observation of rovibrational excited states of gas-phase CO2 by infrared pump-probe spectroscopy (IIS, The University of Tokyo) *Hiroki Tsusaka, Morichika Ikki, Satoshi Ashihara |
| 13:20-14:50 | 4P015 | Soft X-ray XAS measurements and first principles calculations for sugar molecules in liquid phase (Graduate School of Frontier Sciences, Univ. Tokyo1,JAEA2,Institute for Molecular Science3) Daisuke Akazawa1,2, *Takehiko Sasaki1, Masanari Nagasaka3, Motoyuki Shiga2 |
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| 13:20-14:50 | 4P016 | Solvation dynamics in ionic liquids observed by molecular alignment effect of laser pulse (Faculty of science and engineering, Doshisha University1,Graduate school of science and engineering, Doshisha University2) *Kaori Fujii1, Takatsugu Endo1, Yoshifumi Kimura1,2 |
| 13:20-14:50 | 4P017 | Observation of CO2 adsorption process in ionic liquids based on homogeneous and inhomogeneous width in Raman scattering (Graduate School of Science, Chiba Univ.1,Teikyo University of Science2,Toyota physical and chemical research institute3) *Hiroshi Takumi1, Hideyuki Nakayama2, Keiko Nishikawa3, Takeshi Morita1 |
| 13:20-14:50 | 4P018 | Cycloreversion reaction of a diarylethene derivative with asymmetric structure induced by off-resonant simultaneous two-photon excitation (Graduate School of Engineering Science, Osaka Univ.1,Graduate School of Engineering, Osaka Metropolitan Univ.2) *Kento Mizuta1, Hikaru Sotome1, Seiya Kobatake2, Hiroshi Miyasaka1 |
| 13:20-14:50 | 4P019 | Theoretical study of aza-aldol reaction of boron aza-enolate (Grad. school of Chem. Sci. and Eng., Hokkaido Univ.) *Sho Miyakawa, Jun-ya Hasegawa |
| 13:20-14:50 | 4P020 | [Withdraw] |
| 13:20-14:50 | 4P021 | Negative photochromism of naphthylpyrene-bridged imidazole dimer (Department of Chemistry, Aoyama Gakuin University) *Hiroki Ito, Katsuya Mutoh, Jiro Abe |
| 13:20-14:50 | 4P022 | Synthesis and Photophysical Evaluation of Higher Acene Derivatives for Singlet Fission (Faculty of Science and Technology, Keio Univ.) *Taiga Okamoto, Shunta Nakamura, Hayato Sakai, Taku Hasobe |
| 13:20-14:50 | 4P023 | Control of ionic conductivity by vibrational strong coupling (Grad.School Sci and Eng.，Hokkaido Univ.1,Fac. Sci.，Hokkaido Univ.2) *Soushi Yoshimitsu1, Tomohiro Fukushima2, Kei Murakoshi2 |
| 13:20-14:50 | 4P024 | Theoretical analysis of solvent effect in the intersystem crossing process appearing in the chemiluminescence mechanism of acridinium esters (Graduate School of Science and Technology, Sophia Univ.1,Science and Technology, Sophia Univ.2,Graduate School of Science and Engineering, Saitama Univ.3) *Shota Kamiyama1, Yurika Takaku1, Tatsuhiro Murakami2,3, Shinkoh Nanbu2 |
| 13:20-14:50 | 4P025 | The structure and fluorescence properties of π-conjugated phosphole salts in solution (Graduate School of Engineering, Kyoto Univ.1,Faculty of Science and Engineering, Doshisha Univ.2,Graduate School of Science and Engineering, Doshisha Univ.3,Graduate School of Science, Niigata Univ.4,Fukui Institute, Kyoto Univ.5) *Sara Suzuki1, Kosuke Imamura1, Masahiro Higashi1, Kaori Fujii2, Yoshifumi Kimura3, Yoshihiro Matano4, Hirofumi Sato1,5 |
| 13:20-14:50 | 4P026 | The cation dependence of ion transport via solid-state nanopores (SANKEN, Osaka Univ.) *Iatwai Leong, Makusu Tsutsui, Masateru Taniguchi |
| 13:20-14:50 | 4P027 | Synthesis of metal dithiolene fused triptycene derivatives toward functional molecule-based honeycomb structures (Graduate School of Science, Nagoya University1,School of Chemistry, University of Edinburgh2) *Ali Wang1, Yoshiaki Shuku1, Neil Robertson2, Kunio Awaga1 |
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| 13:20-14:50 | 4P028 | Cooperative molecular motion and dielectric response of crystals composed of branched-chain alkylammonium/[18]crown-6 derivatives (Graduate School of Environmental Science, Hokkaido Univ1,RIES,Hokkaido Univ.2) *Kazuya Kanamaru1, Kiyonori Takahashi1,2, Rui-kang Huang1,2, Chen Xue1,2, Takayoshi Nakamura1,2 |
| 13:20-14:50 | 4P029 | Crystal structure and magnetic properties of iron mixed-valence complex with employment of ((n-C3H7)xPh4-xP) (x = 1-3) cation (Graduate School of Science, Tokyo univ. of sci.1,Faculty of Science Division1, Tokyo univ. of sci.2) *Tsubasa Endo1, Kyosuke Nomura1, Takuya Kanetomo2, Masaya Enomoto2 |
| 13:20-14:50 | 4P030 | Crystal structures of polyhedrally connected π conjugated molecules with 3-fold symmetry and analysis of their electronic band structure by tight binding method (Graduate School of Science, Nagoya Univ.1,Department of Physics, Nara Women’s Univ.2) *Yoshiaki Shuku1, Rie Suizu1, Masahisa Tsuchiizu2, Kunio Awaga1 |
| 13:20-14:50 | 4P031 | Magnetic and conducting properties of one-dimensional coordination polymers with iron and nickel group elements forming a grid-like arrangement (Graduate School of Science, Tokyo Univ of Sciece.1,Faculty of Science Division 1, Tokyo Univ of Science.2) *Kota Yoshida1, Mitsuki Nakayama1, Takuya Kanetomo2, Masaya Enomoto2 |
| 13:20-14:50 | 4P032 | Effect of ring fusion mode toward physical properties and molecular assembly structures in cyclic tetrathiophene (Graduate School of Engineering, Tohoku University1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University2) *Genki Saito1, Takashi Takeda1,2, Tomoyuki Akutagawa1,2 |
| 13:20-14:50 | 4P033 | Synthesis in ionic conductivity of covalent organic frameworks including alkyl group and magnesium ion in the pores (Graduate School of Science, Tokyo University of Science) *Akinori Mohri, Masaaki Sadakiyo |
| 13:20-14:50 | 4P034 | Photophysical properties of thin films of luminescent polymer doped with liquid crystalline chiral dopants (Graduate School of Science and Engineering, Ibaraki Univ.1,Graduate School of Science, Kitasato Univ.2,Faculty of Science and Engineering, Kindai Univ.3) *Kazuyuki Asahi1, Yuki Nishimura1, Masashi Hasegawa2, Yasuhiro Mazaki2, Yoshitane Imai3, Hiroyuki Nishikawa1 |
| 13:20-14:50 | 4P035 | Controlling carrier dynamics in a single CH3NH3PbBr3 microcrystal by femtosecond transient absorption spectroscopy (Sci. and Eng., Tokushima Univ1,Post LED Lab., Tokushima Univ.2) *Yuma Fujita1, Tetsuro Katayama1,2, Akihiro Furube1,2 |
| 13:20-14:50 | 4P036 | Time-resolved measurements of magnetic field effects on singlet fiction (Graduate School of Science and Engineering, Saitama University) *Kota Hirosawa, Tomoaki Yago, Masanobu Wakasa |
| 13:20-14:50 | 4P037 | [Withdraw] |
| 13:20-14:50 | 4P038 | Development of fluorescence detection system under ultra-high magnetic fields (Graduate School of Science and Engineering, Saitama Univ) *Daiki Kondo, Tomoaki Yago, Masanobu Wakasa |
| 13:20-14:50 | 4P039 | Exploration and characterization of N,N'-Bisalkylnaphthalenediimide charge transfer complexes by chemical reduction method (Graduate School of Science, Tohoku Univ.1,Graduate School of Engineering, Nagoya Univ.2) *Tappei Tanabe1, Shohei Koyama1, Shuntaro Yamanaka1, Shinya Takaishi1, Ryota Sakamoto1, Iguchi Hiroaki2 |
| 13:20-14:50 | 4P040 | Observation of photocatalytic hydrogen evolution reaction by nuclear magnetic resonance spectroscopy (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Department of Chemistry, Faculty of Science, Hokkaido Univ.2) *Daiki Ashizawa1, Tomohiro Fukushima2, Kei Murakoshi2 |
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| 13:20-14:50 | 4P041 | Investigation of the strain tuning method for improving Li diffusion performance in cathode materials of lithium-ion batteries (Graduate School of Science, Osaka Univ.1,RIKEN2) *Masato Torii1, Takashi Kawakami1,2, Shusuke Yamanaka1, Mitsutaka Okumura1 |
| 13:20-14:50 | 4P042 | HD-VSFG spectroscopy of lipid monolayers on aqueous solutions of 4'-dihexylamino-4-sulfoazobenzene (Graduate School of Science and Technology University of Tsukuba) *Ryosuke Shinoda, Masato Kondoh, Atsuya Momotake, Taka-aki Ishibashi |
| 13:20-14:50 | 4P043 | Reaction kinetics for electron injection from a dye molecule to TiO2 nanoparticle (Graduate School of Science, Josai University) *Kanon Ie, Koichiro Mitsuke |
| 13:20-14:50 | 4P044 | Development of combined plane wave and localized basis sets method toward theoretical analysis of the structure or H/D isotope effect of molecular adsorption on metal surface (Graduate School of Data Science, Yokohama City Univ.1,Graduate School of Engineering, Hiroshima Univ.2,Graduate School of Nanobioscience, Yokohama City Univ.3) *Hiroki Sakagami1, Takayoshi Ishimoto2, Masanori Tachikawa3 |
| 13:20-14:50 | 4P045 | Structural analysis of OFET interfaces using sum frequency generation spectroscopy (Graduate School of Science and Engineering, Chiba Univ.) *Takeaki Isobe, Takayuki Miyamae |
| 13:20-14:50 | 4P046 | Modified base detection and discrimination using of single-molecule measurement (SANKEN, Osaka Univ.) *Yuki Komoto, Takahito Ohshiro, Masateru Taniguchi |
| 13:20-14:50 | 4P047 | Analysis of vibration spectra of HOD in nanoslit system using a molecular dynamics simulation (Graduate School of Science and Engineering, Keio Univ1,Graduate School of Science and Engineering, Toyama Univ2) *Genki Miwa1, Eiji Yamamoto1, Tatsuya Ishiyama2, Kenji Yasuoka1 |
| 13:20-14:50 | 4P048 | Morphology and performance of monolithic perovskite solar cells (Graduate School of Science, Josai Univ.) *Miyuki Uchida, Koichiro Mitsuke |
| 13:20-14:50 | 4P049 | Charge transfer dynamics through biphenyl monolayers following inner-shell excitation (Graduate School of Advanced Science and Engineering1,KEK-IMSS-PF2,HiSOR3) *Akinobu Niozu1, Junichi Adachi2, Hirokazu Tanaka2, Shin-ichi Wada1,3 |
| 13:20-14:50 | 4P050 | Flexible solar cells of dye-sensitized or perovskite type deposited on an ITO-PEN substrate (Graduate School of Science, Josai University) *Linh Vu, Koichiro Mitsuke |
[Clusters/particles/nanostructures]
| 13:20-14:50 | 4P051 | Elucidation of quasi-reversible photoelimination of organic ligands on ZnS nanocrystals (College of Life Sciences, Ritsumeikan Univ.1,Institute for Molecular Science2,Graduate School of Science, Kyoto Univ.3) *Daisuke Yoshioka1, Yusuke Yoneda2, Hikaru Kuramochi2, Hyeon-deuk Kim3, Yoichi Kobayashi1 |
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| 13:20-14:50 | 4P052 | Size effect of niobium oxide clusters on base catalytic properties (Graduate School of Science, Tokyo Metropolitan University1,PRESTO, JST2) *Hiroki Nagakari1, Soichi Kikkawa1, Naoki Nakatani1, Seiji Yamazoe1,2 |
| 13:20-14:50 | 4P053 | Observation of nucleobases association in solution by use of droplet collision and atmospheric pressure IR-laser ablation mass spectrometry (Graduate School of Gakushuin Univ.) *Fusae Kawashima, Hiroya Asami, Jun-ya Kohno |
| 13:20-14:50 | 4P054 | Evaporative cooling of microdroplets of water in a vacuum: precise measurement of droplet size by Whispering Gallery Mode (Faculty of Science, Kyushu Univ.) *Takefumi Handa, Masashi Arakawa, Takuya Horio, Akira Terasaki |
| 13:20-14:50 | 4P055 | Unravelling the triplet character of Au13 clusters via triplet fusion upconversion analysis (Graduate School of Science, Rikkyo Univ.) *Kouta Yoshida, Daichi Arima, Atsuki Uchida, Yoshiki Niihori, Masaaki Mitsui |
| 13:20-14:50 | 4P056 | Understanding the adsorption properties of Fischer–Tropsch catalysts by density functional theory calculations and machine learning (Graduate School of Advanced Science and Engieering, Hiroshima University) *David Rivera, Mika Aizawa, Takayoshi Ishimoto |
| 13:20-14:50 | 4P057 | Elucidation of the effect of charge state in silver nanoclusters encapsulating anion on geometric/electronic structures (Graduate School of Science, Tokyo University of Science1,Institute for Molecular Science2) *Yusuke Horita1, Mai Ishimi1, Miyu Sera1, Sakiat Hossain1, Tokuhisa Kawawaki1, Pei Zhao2, Masahiro Ehara2, Yuichi Negishi1 |
| 13:20-14:50 | 4P058 | Electrocatalytic activity of single composition Pt/Pd alloy nanoclusters in oxygen reduction reaction (Fac. Sci. Keio Univ.) *Ryuki Birumachi, Kimika Matsunaga, Atsushi Nakajima |
| 13:20-14:50 | 4P059 | Elucidation of the origin of highly luminescent properties of sulfonate-protected silver clusters (Graduate School of Science, Tokyo University of Science1,Institute for Molecular Science2) *Mana Nakamoto1, Mai Ishimi1, Aoi Akiyama1, Sakiat Hossain1, Tokuhisa Kawawaki1, Yoshiki Niihori1, Daiji Ogata1, Pei Zhao2, Masahiro Ehara2, Junpei Yuasa1, Yuichi Negishi1 |
| 13:20-14:50 | 4P060 | Hot electron relaxation and electron transfer of CdSe nanoplatelets-acceptor complexes (Graduate School of Science and Technology) *Ryoto Kako, Daichi Eguchi, Naoto Tamai |
| 13:20-14:50 | 4P061 | Effect of Shell Thickness on Hot Electron Transfer of Type-I Core-Shell Quantum Dots (Graduate School of Science and Technology, Kwansei Gakuin Univ.) *Yuki Taga, Daichi Eguchi, Naoto Tamai |
| 13:20-14:50 | 4P062 | Effect of spatially modulated light excitation on two-photon induced photoluminescence from gold nanoplates (Graduates School of Science and Engineering, Waseda Univ.) *Honoka Ichikawa, Seiju Hasegawa, Kohei Imura |
| 13:20-14:50 | 4P063 | Label-free CARS spectroscopic imaging of whole mouse brain slices (Ph.D program in Humanicus, Univ. of Tsukuba1,International Institute for Integrative Sleep Medicine, Univ. of Tsukuba2,Department of Chemistry, Kyushu Univ.3) *Yusuke Murakami1,2, Shinichi Miyazaki1,2, Sakiko Honjoh2, Hideaki Kano3 |
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| 13:20-14:50 | 4P064 | Development of multiplex Raman imaging and its application to living cells (Graduate School of Sci. and Eng., Aoyama Gakuin Univ.) *Tatsuya Yaginuma, Rintaro Shimada, Akira Sakamoto |
| 13:20-14:50 | 4P065 | Pressure-jump kinetics of liquid-liquid phase separation:comparison of two different condensed phases of the RNA-Binding Protein, Fused in Sarcoma (College of Pharmaceutical Sciences, Ritsumeikan Univ.1,College of Life Sciences, Ritsumeikan Univ.2,Graduate School of Pharmaceutical Sciences, Ritsumeikan Univ.3) *Yutaro Shiramasa1, Ryota Yamazaki1, Fumika Ide2, Shujie Li3, Naoya Sasahara2, Takuya Yoshizawa2, Ryo Kitahara1 |
| 13:20-14:50 | 4P066 | Computational analysis on the activity of P450nor intermediate and its N2O generation reaction mechanism (Hiroshima Univ.1,Hiroshima City Univ.2) *Yusuke Kanematsu1,2, Yu Takano2 |
| 13:20-14:50 | 4P067 | Theoretical study of effect on ionization potential by hydrogen bonds around [4Fe-4S] active site in HiPIP (Graduate School of Engineering Science, Osaka University1,Center for Quantum Information and Quantum Biology, Osaka University2,Research Center for Solar Energy Chemistry, Graduate School of Engineering Science, Osaka University3,Innovative Catalysis Science Division, OTRI, Osaka University4,Center for Spintronics Research Network, Osaka University5) *Taigo Kamimura1, Naoka Amamizu1, Keigo Cho1, Kazuaki Tokuyama1, Keisuke Sasaki1, Yuta Hayashi1, Masahiro Tsuda1, Ryohei Kishi1,2,3,4, Yasutaka Kitagawa1,2,3,4,5 |
| 13:20-14:50 | 4P068 | Spectroscopic study of “all-trans to 11-cis” retinal isomerization mechanism in Jumping Spider Peropsin (Graduate School of Engineering, Nagoya Inst. Tech.1,Graduate School of Science, Osaka Metro. Univ.2) *Shino Inukai1, Kota Katayama1, Tomohiro Sugihara2, Mitsumasa Koyanagi2, Akihisa Terakita2, Hideki Kandori1 |
| 13:20-14:50 | 4P069 | Rules of organic reaction by machine learning (Graduate School of Natural Science and Technology, Kanazawa Univ.) *Honoka Kojima, Tomonori Ida, Motohiro Mizuno |
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| 13:20-14:50 | 4P070 | Thermochemical/physical database for exploring thermal storage materials and computational analysis of thermo chemical compounds (AIST1,TherMAT2,X-Ability3) *Toyokazu Ishida1,2, Yukiko Suda2, Kazuya Ishimura3 |
| 13:20-14:50 | 4P071 | Expression of the inhomogeneous terms in the coupled perturbed Kohn-Sham/ Hartree-Fock equations (Keio Univ) *Satoshi Yabushita, Yuto Kugaya, Masafumi Tsuyuki |
| 13:20-14:50 | 4P072 | Dynamical effects of water clusters on soft x-ray emission spectroscopy (Graduate School of Advanced Science and Engineering, Hiroshima Univ.) *Osamu Takahashi |
| 13:20-14:50 | 4P073 | Development of neural network potentials for application to the metal-oxide/liquid interfaces. (Graduate School of Engineering, The University of Tokyo) *Taro Kobayahsi, Tatsushi Ikeda, Koki Muraoka, Akira Nakayama |
| 13:20-14:50 | 4P074 | Propylene oxidation catalyzed by metal hexamers: systematic theoretical study on the reactivity of alloys (Graduate School of Science, Hokkaido Univ.1,WPI-ICReDD2) *Tomoya Ichino1, Satoshi Maeda1,2 |
| 13:20-14:50 | 4P075 | Free energy analysis of nitrile hydration reaction using cerium oxide catalyst (Graduate School of Engineering, The University of Tokyo) *Takaaki Endo, Tatsushi Ikeda, Koki Muraoka, Akira Nakayama |
| 13:20-14:50 | 4P076 | Strecker synthesis at water nanoclusters: a theoretical study on the intra-cluster site dependency of the reactivity (Graduate School of Chemical Sciences and Engineering, Hokkaido University1,Department of Chemistry, Faculty of Science, Hokkaido University2,WPI-ICReDD, Hokkaido University3) *Ippei Akabane1, Satoshi Maeda2,3 |
| 13:20-14:50 | 4P077 | Double ionization of He and H‒ in intense laser fields (Department of Chemistry, School of Science, The University of Tokyo) *Kento Nakajima, Erik Lötstedt, Kaoru Yamanouchi |
| 13:20-14:50 | 4P078 | Factor analysis of error in oxidation potential calculation: a machine learning study (Graduate School of Science and Technology, Univ. of Tsukuba) *Yuki Kanamaru, Toru Matsui |
| 13:20-14:50 | 4P079 | Study of cyclization reaction pathway of cyanate molecules and resin model by quantum chemical calculation and reaction simulation (Graduate School of Science, Tohoku Univ.) Naoki Kishimoto, *Yukun Bai, Hironobu Fukuzawa, Yingxiao Xi |
| 13:20-14:50 | 4P080 | Theoretical analysis on hydrogen-bonded structures of EGFP with multi-component density functional theory (Graduate School of Nanobioscience, Yokohama City Univ.) *Mio Takakuwa, Tomomi Shimazaki, Masanori Tachikawa, Yukiumi Kita |
| 13:20-14:50 | 4P081 | Stabilization effect of inter-subunit interactions on the R-state hemoglobin structure. (Graduate School of Informatics, Nagoya Univ.1,School of Engineering, Shizuoka Univ.2,FV-CRC, Nagoya Univ.3) *Haruka Yotsuya1, Miho Tanaka1, Yukichi Kitamura2, Masataka Nagaoka1,3 |
| 13:20-14:50 | 4P082 | Theoretical Study on Singlet Fission Dynamics in Molecular Aggregates with Multiple Ring-Shaped Structures (Graduate School of Engineering Science, Osaka Univ.1,Center for Quantum Information and Quantum Biology, Osaka University2,Research Center for Solar Energy Chemistry, Graduate School of Engineering Science, Osaka University3,Innovative Catalysis Science Division, Institute for Open and Transdisciplinary Research Initiatives, Osaka University4,Center for Spintronics Research Network, Osaka University.5) *Hajime Miyamoto1, Kenji Okada1, Ryohei Kishi1,2,3,4, Yasutaka Kitagawa1,2,3,4,5 |
| 13:20-14:50 | 4P083 | A path integral molecular dynamics study on NH4+ rotation in NH4+…XH2 (X = Be or Mg) dihydrogen bond systems (Department of Chemistry and Biomolecular Science, Gifu Univ.1,Graduate School of NanobioScience, Yokohama City Univ.2) *Taro Udagawa1, Amane Kinoshita1, Kazuaki Kuwahata2, Masanori Tachikawa2 |
| 13:20-14:50 | 4P084 | Predicting the oxidation state of manganese complexes using machine learning (Graduate School of Science and Engineering, Keio Univ.1,DIC Corporation2) *Taro Yamada1, Hiroaki Nakano2, Taichi Inagaki1, Miho Hatanaka1 |
| 13:20-14:50 | 4P085 | Theoretical study on the Knoevenagel reaction catalyzed by a ZIF-8 external surface using combined 3D-RISM-SCF and SC-AFIR methods (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2,WPI-ICReDD3,JST-ERATO4,NIMS5) *Ryota Sato1, Taisuke Hasegawa2, Satoshi Maeda2,3,4,5 |
| 13:20-14:50 | 4P086 | Theoretical study on the development of phthalocyanine catalysts aimed at the decomposition of NOx and CO (Graduate School of Sciences and Technology for Innovation, Yamaguchi Univ.1,Faculty of Advanced Science and Technology, Kumamoto Univ.2) *Michinori Sumimoto1, Kazuki Ishihara1, Hitoshi Fujimoto2 |
| 13:20-14:50 | 4P087 | Theoretical study on the photochemical reaction of naphthalene with carbon tetrachloride (Grad. School of Chem. Sci. and Eng., Hokkaido Univ.1,Graduate School of Science, Hokkaido Univ.2,Department of Applied Chem., Kobe City College of Technology.3,WPI-ICReDD, Hokkaido Univ.4) *Shinta Nakazawa1, Kenichiro Saita2, Akihiro Watanabe3, Tetsuya Taketsugu2,4 |
| 13:20-14:50 | 4P088 | free energy profile analysis of the aggregation-induced emission process of tetraphenylethylene (Chiba Institute of Technology) *Yusuke Sakai, Norifumi Yamamoto |
| 13:20-14:50 | 4P089 | Implementation and application of selective quantum chemical nanoreactor molecular dynamics method for complex reaction process (WISE, Waseda University1,Sch. Adv. Sci. Eng, Waseda University2) *Yoshifumi Nishimura1, Hiromi Nakai1,2 |
| 13:20-14:50 | 4P090 | Theoretical study of structural changes of amorphous carbon and carbon nanotubes in CNT yarns with high-pressure annealing by automated reaction path search methods (Graduate School of Chemical Science and Engineering, Hokkaido Univ.1,Department of Chemistry, Faculty of Science, Hokkaido Univ.2,Graduate School of Natural Science and Technology, Okayama Univ.3,Faculty of Pure and Applied Sciences, Univ. of Tsukuba4,WPI-ICReDD, Hokkaido Univ.5) *Yuta Hayashi1, Taisuke Hasegawa2, Kensuke Uehara3, Haolu Lin3, Hirotaka Inoue3, Hiroo Suzuki3, Takeshi Nishikawa3, Masaki Hada4, Yasuhiko Hayashi3, Satoshi Maeda2,5 |
| 13:20-14:50 | 4P091 | Molecular simulation of thermal resistance at gas-liquid interface with structural fluctuation (raduate School of Science, Tohoku Univ.1,AGC Corporation.2) *Taisei Ito1, Hinano Ogawa1, Hajime Ito2, Akihiro Morita1 |
| 13:20-14:50 | 4P092 | Development of the nonlocal term in the electronic kinetic energy density functional and its implementation (Graduate Schoole of Science, Tohoku Univ.) *Hideaki Takahashi |
| 13:20-14:50 | 4P093 | Theoretical Study on Connecting Position and Charged State Dependences of Open-Shell Characters and Third-Order Nonlinear Optical Properties of Carbazole Oligomers (Department of Materials Engineering Science, Graduate School of Engineering Science, Osaka University1,Center for Quantum Information and Quantum Biology, Osaka University2,Innovative Catalysis Science Division, Institute for Open and Transdisciplinary Research Initiatives, Osaka University3,Research Center for Solar Energy Chemistry, Osaka University4,Center for Spintronic Research Network, Osaka University5) *Naoki Shirai1, Wataru Yoshida1, Ryohei Kishi1,2,3,4, Yasutaka Kitagawa1,2,3,4,5 |
| 13:20-14:50 | 4P094 | Configuration analysis with Chirgwin-Coulson weights: Extension to quadruple-excitation configurations (Faculty of Pharmaceutical Sciences, TOHO Univ.) *Takeshi Yoshikawa, Takumu Ikemoto, Ken Sakata |
| 13:20-14:50 | 4P095 | Nuclear quantum effects on aromaticity : A path integral molecular dynamics study (Gifu Univ.1,Yokohama City Univ.2) *Hikaru Tanaka1, Kazuaki Kuwahata2, Masanori Tachikawa2, Taro Udagawa1 |
| 13:20-14:50 | 4P096 | Development of relativistic CASPT2 program based on DIRAC program (Graduate School of Science, Tokyo Metropolitan Univ.1,Advanced Graduate School of Science and Technology, Hiroshima Univ.2) *Sumika Iwamuro1, Masahiko Hada1, Minori Abe1,2 |
| 13:20-14:50 | 4P097 | Effect of electrode potential on structural stability of SEI film in Li-ion batteries (Graduate School of Informatics, Nagoya Univ.1,Future Value Creation Research Center, Nagoya Univ.2,ESICB, Kyoto Univ.3) *Hiroki Kondo1, Tomoyuki Kawase1, Nisrine Sakaki1, Yuichi Tanaka1, Masataka Nagaoka1,2,3 |
| 13:20-14:50 | 4P098 | Vibrational levels of ortho- and para-hydrogen molecular ions (Yokohama City Univ.1,RIKEN2,Tohoku Univ.3,Tohoku Univ.4) *Shuhei Ohno1, Daisuke Yoshida1,2, Takuma Yamashita3,4, Emiko Hiyama2,4, Masanori Tachikawa1 |