Lecture Hall Bldg. K202
[Physical Chemistry -Structure-]
Sunday, March 22, PM
Gas-phase spectroscopy
Chair: KUMA, Susumu
(13:00-14:00)
* 12:50-13:00: interval for laptop PC connection.(1B2-25, 1B2-27, 1B2-29)
1B2-25*#
Development of high-resolution molecular spectroscopy using frequency comb (SOKENDAI) º HIROTA, Eiji; NISHIYAMA, Akiko
1B2-27*
Jet spectroscopy of metal containing free radical: dynamics of complex vibrational levels (Grad. Sch. Info. Sci., Hiroshima City Univ.) º FUKUSHIMA, Masaru; ISHIWATA, Takashi
1B2-29*#
Spin-orbit splitting of Ar+ and Kr+ determined by strong-field ultrahigh-resolution Fourier transform spectroscopy (Grad. Sch. Sci., The Univ. of Tokyo) º ANDO, Toshiaki; LIU, Alex; NEGISHI, Naoki; IWASAKI, Atsushi; YAMANOUCHI, Kaoru
Chair: YASUIKE, Tomokazu
(14:10-15:10)
* 14:00-14:10: interval for laptop PC connection.(1B2-32, 1B2-34, 1B2-35, 1B2-36, 1B2-37)
1B2-32*#
Control of the stimulated emission dynamics between the ion-pair states of molecular iodine (Fac. Sci., TUS) º HOSHINO, Shoma; ABE, Rin; TSUKIYAMA, Koichi
1B2-34#
Towards production of ultracold aniline cations in superfluid helium nano droplets (RIKEN) º IGUCHI, Arisa; KUMA, Susumu; TANUMA, Hajime; AZUMA, Toshiyuki
1B2-35
Gas Phase IR Multiphoton Dissociation Spectroscopy of Guanine Nucleotide Based on IR-Laser Ablation of Droplet Beam (Fac. Sci., Gakushuin Univ.) º ASAMI, Hiroya; SUZUKI, Seiya; KOHNO, Jun-ya
1B2-36
Deep UV CD Spectroscopy of Albumin Ions in the Gas Phase (Grad. Sch. Sci. and Technol., Gakushuin Univ.) º KITAZAKI, Akihiro; ASAMI, Hiroya; KOHNO, Jun-ya
1B2-37
Study on dihydrogen bond of methanol-tert-butyldimethylsilane cluster by IR spectroscopy (Grad. Sch. Integrated Sci. and Tech., Shizuoka Univ.) º KAMIMURA, Ryoya; MATSUMOTO, Yoshiteru; ISHIKAWA, Haruki
Electronic Spectroscopy/Electronic State
Chair: MATSUMOTO, Yoshiteru
(15:20-16:10)
* 15:10-15:20: interval for laptop PC connection.(1B2-39, 1B2-41, 1B2-42, 1B2-43)
1B2-39*#
Application of ATR - FUV spectroscopy for the analysis of the coordinate structure in concentrated solutions about alkali metal complexes (Grad. Sch. Sci. Eng., Kindai Univ.) º UENO, Nami; SATO, Harumi; WAKABAYASHI, Tomonari; MORISAWA, Yusuke
1B2-41
Investigation of changes in electronic states of σ-electron due to methylation of cyclohexane by Attenuated Total Reflection (ATR) spectroscopy in Far-UV region (Fac. Sci. Eng., Kindai Univ.) º HIGAKI, Yugo; MORISAWA, Yusuke
1B2-42
Investigation of electronic states of water in highly concentrated aqueous solutions of lithium salts (Fac. Sci. Eng., Kindai Univ.) º MORISAWA, Yusuke; TAKAGOSHI, Masato; ZAITCEVA, Anna
1B2-43
Characteristic Feature in Far-Ultraviolet Spectra of Esters (Grad. Sch. Eng., Osaka Electro-Comm. Univ.; Grad. Sch. Sci. Eng., Kindai Univ.) º NAKAJIMA, Yurika; UENO, Nami; MORISAWA, Yusuke; MORITA, Shigeaki
Chair: MORISAWA, Yusuke
(16:20-17:00)
* 16:10-16:20: interval for laptop PC connection.(1B2-45, 1B2-47, 1B2-48)
1B2-45*#
Electronic structure analysis of NixP films on Fe2P(10-10) (Coll. Sci., Rikkyo Univ.; Res. Ctr. for Smart Molecules, Rikkyo Univ.) º MAEJIMA, Naoyuki; YOSHIDA, Tomoya; SHIMATO, Yuki; EDAMOTO, Kazuyuki
1B2-47#
Photoelectron spectroscopic and theoretical study of metallaborocycles (Dept. of Chem, Brown Univ.) º CHEUNG, Ling Fung; KOCHERIL, George; CZEKNER, Joseph; WANG, Lai-sheng
1B2-48
Substituent Effect on the Two-Photon Absorption of Diphenylacetylene Derivatives with Electron Donating/Withdrawing Groups (Grad. Sch. Sci., Eng., Aoyama Gakuin Univ.) º ISHII, Tetsuro; ISOZAKI, Tasuku; KASHIHARA, Wataru; SUZUKI, Tadashi
Monday, March 23, AM
Magnetic Resonance
Chair: SAKOTA, Kenji
(09:00-10:00)
* 8:50-9:00: interval for laptop PC connection.(2B2-01, 2B2-03, 2B2-05, 2B2-06)
2B2-01*
ESR Study of NN or IN radical in porous crystalline Zn complex (Facul. Arts Sci. FY, Showa Univ.) º KOBAYASHI, Hirokazu; AKINIWA, Kento; IWAHORI, Fumiyasu
2B2-03*
Spin manipulation of weakly exchange coupled biradicals by arbitrary weaveform puled ESR technique (Grad. Sch. Sci., Osaka City Univ.; NIOCH SB RAS) º SATO, Kazunobu; HIRAO, Rei; SUGISAKI, Kenji; MATSUOKA, Hideto; TOYOTA, Kazuo; SHIOMI, Daisuke; ZAYTSEVA, Elena; TORMYSHEV, Victor M.; BAGRYANSKAYA, Elena; TAKUI, Takeji
2B2-05
Valence tautomerism in a tetranuclear Co4 complex as studied by temperature dependent ESR spectroscopy (Grad. Sch. Sci., Osaka City Univ.; Department of Chemistry, Brock University; University of British Columbia) º SHIBANO, Yuki; SUGISAKI, Kenji; MATSUOKA, Hideto; SHIOMI, Daisuke; BONANNO, Nico; PATRICK, Brian; LEMAIRE, Martin T.; SATO, Kazunobu; TAKUI, Takeji
2B2-06
Local structure and proton conductivity of Alginic acid-2-ethylimidazole composite (Grad. Sch. Nat. Sci. Technol., Kanazawa Univ.) º KAJIMOTO, Sho; SHIGETA, Yasuhiro; AMEMORI, Shogo; IDA, Tomonori; MIZUNO, Motohiro
Surface/Interface, others
Chair: JUDAI, Ken
(10:10-10:50)
* 10:00-10:10: interval for laptop PC connection.(2B2-08, 2B2-09, 2B2-10)
2B2-08
Atomic resolution observation and dynamic structure analysis of platinum clusters by electron microscope (Sch. Mater. & Chem. Tech., Tokyo Tech.) º TOYONAGA, Tetsuya; IMAOKA, Takane; YAMAMOTO, Kimihisa
2B2-09
Observation of heterometallic bond using transmission electron microscopy (Lab. Chem. Life Sci., Tokyo Tech.; JST-ERATO) º INAZU, Minori; TOYONAGA, Tetsuya; MORITA, Mari; IMAOKA, Takane; YAMAMOTO, Kimihisa
2B2-10*
Effect of graphite electrode steps with several layers depth on the local structure of ionic liquid electrolyte (Grad. Sch. Eng. Sci., Osaka Univ.) YONEKAWA, Masaki; TANABE, Ichiro; NAMBA, Ryotaro; SASAHARA, Akira; ONISHI, Hiroshi; MORIKAWA, Yoshitada; º FUKUI, Ken-ichi
IR/Raman Spectroscopy
Chair: SAKAMOTO, Akira
(11:00-11:40)
* 10:50-11:00: interval for laptop PC connection.(2B2-13, 2B2-14, 2B2-15, 2B2-16)
2B2-13
Anti-Stokes Raman intensity of molecule has nonequilibrium energy distribution: comparison among amino acid residues (Grad. Sch. Sci., Osaka Univ.) º YAMASHITA, Satoshi; MIZUTANI, Yasuhisa
2B2-14
Chromophore structure of a long-lived photoreaction intermediate of heliorhodopsin (Sch. Sci., Osaka Univ.) º URUI, Taito; OTOMO, Akihiro; MIZUNO, Misao; KANDORI, Hideki; MIZUTANI, Yasuhisa
2B2-15
Unique hydrogen bond network of the chromophore in outward sodium ion pump KR2 (Sch. Sci., Osaka Univ.) º SHINOZAKI, Yuka; OTOMO, Akihiro; MIZUNO, Misao; ABE-YOSHIZUMI, Rei; KANDORI, Hideki; MIZUTANI, Yasuhisa
2B2-16
Retinal chromophore structure of new light-driven inward proton pumps SzRs (Grad. Sch. Sci., Osaka Univ.) º SHIONOYA, Tomomi; SINGH, Manish; MIZUNO, Misao; KANDORI, Hideki; MIZUTANI, Yasuhisa
Monday, March 23, PM
Chair: HASEGAWA, Takeshi
(13:00-13:40)
* 12:50-13:00: interval for laptop PC connection.(2B2-25, 2B2-26, 2B2-27, 2B2-28)
2B2-25
Synthesis of [3,3](4,4’)biphenylophane and its vibrational spectroscopic studies (Coll. Sci. Eng., Aoyama Gakuin Univ.) º SHIRAISHI, Shunya; OKAJIMA, Hajime; SAKAMOTO, Akira
2B2-26
Simple measurements of vibrational circular dichroism spectra of some solid amino acids by the pellet method (Coll. Sci. Eng., Aoyama Gakuin Univ.) º NAKAGAWA, Hiroki; OKAJIMA, Hajime; SAKAMOTO, Akira
2B2-27
Infrared study of the Ca2+-coordination structures of EF-hand motif proteins:Effect on Glu at the 12th position by an amino acid substitution (Tokyo Med. and Dental Univ. Coll. Lib. Arts Sci.) º NARA, Masayuki; MORII, Hisayuki; SAKAMOTO, Akira; MIYAKAWA, Takuya; TANOKURA, Masaru
2B2-28
Polarization of cavity enhanced Raman scattered light emerging from pendant drop (Grad. Sch. Sci. and Technol., Gakushuin Univ.) º INOUE, Tomonao; KOHNO, Jun-ya
Chair: MIZUTANI, Yasuhisa
(13:50-14:40)
* 13:40-13:50: interval for laptop PC connection.(2B2-30, 2B2-32, 2B2-34)
2B2-30*#
Controlling Technique of Molecular Arrangement of Porphyrin Derivatives in a Thin Film Using Intermolecular Interaction Studied by the pMAIRS and GIXD Techniques (ICR, Kyoto Univ.) º TOMITA, Kazutaka; SHIOYA, Nobutaka; SHIMOAKA, Takafumi; HASEGAWA, Takeshi
2B2-32*
Dependence of Low-Frequency Spectrum of Polystyrene Solution on Concentration and Molecular Weight (Chiba Univ.) º SHIROTA, Hideaki; MORIYAMA, Katsuhiko
2B2-34
In-Situ Molecular Orientation Analysis of a π-Gelator at Air−Water Interface by Using Infrared Spectroscopy (ICR, Kyoto Univ.) º YAMAGUCHI, Yuta; SHIMOAKA, Takafumi; SHIOYA, Nobutaka; AJAYAGHOSH, Ayyappanpillai; MORI, Taizou; ARIGA, Katsuhiko; HASEGAWA, Takeshi
[International Symposium on Molecular Science - Physical Chemistry / Theoretical Chemistry, Chemoinformatics, Computational Chemistry - Cosponsored by Japan Society for Molecular Science]
Tuesday, March 24, AM
(09:00-09:10)
3B2-01 Opening Remarks / Closing Remarks#
Opening Address (RIKEN) º Tahara, Tahei
Chair: Shigeta, Yasuteru
(09:10-10:30)
3B2-02 Keynote Lecture#
Quantum chemistry calculation and machine learning prediction of electric dipole in complex system (Univ. of Science and Technology of China) º Jiang, Jun
3B2-06 Invited Lecture#
Machine learning and DFT simulation for core-loss spectroscopy (The Univ. of Tokyo) º Mizoguchi, Teruyasu
3B2-08 Invited Lecture#
Computational materials design using materials simulations and informatics (Japan Advanced Inst. of Science and Technology) º Hongo, Kenta
Chair: Yamamoto, Hiroshi
(10:40-11:20)
3B2-11 Asia Special Lecture#
Photo-driven molecular dipole reordering in halide perovskites (National Taiwan Univ.) º Chiu, Ya-Ping
Chair: Akutagawa, Tomoyuki
(11:20-11:40)
3B2-15 Invited Lecture#
Exploration of exotic physical properties of π electrons: From superconductivity to quantum spin liquids and charge glasses (The Univ. of Tokyo) º Hashimoto, Kenichiro
Tuesday, March 24, PM
Chair: Nakazawa, Yasuhiro
(12:40-13:40)
3B2-23 Invited Lecture#
Generation and Manipulation of Spin-polarized Current by Chiral Molecules (Inst. for Molecular Science) º Suda, Masayuki
3B2-25 Invited Lecture#
Nonvolatile phase control of electronic/magnetic/superconducting states by an electric/optical pulse (The Univ. of Tokyo) º Kagawa, Fumitaka
3B2-27 Invited Lecture#
Optical SHG and spontaneous polarization in organic conductors induced by an electron-type ferroelectric transition (Okayama Univ. of Science) º Yamamoto, Kaoru
Chair: Onda, Ken
(13:50-15:50)
3B2-30 Keynote Lecture#
Photoexcitation Self-trapping in Molecular-like Semiconductors with Low-Dimensional Crystal Structures (Zhejiang Univ.) º Zhu, Haiming
3B2-34 Asia Special Lecture#
Ab initio Nonadiabatic Molecular Dynamics Investigations on the Excited Carriers in Condensed Matter Systems (Univ. of Science and Technology of China) º Zhao, Jin
3B2-38 Invited Lecture#
Electrode/Electrolyte Interface in Rechargeable Battery (Kyoto Univ.) º Minato, Taketoshi
3B2-40 Invited Lecture#
Ultrafast time-resolved electron diffraction revealing the reduction mechanism of graphene oxide through the photon and thermal modes (Univ. of Tsukuba) º Hada, Masaki
Chair: Tachikawa, Masanori
(16:00-17:20)
3B2-43 Keynote Lecture#
Accelerated discovery of Functional Materials using Machine Learning Combined with High Throughput Screening (Indian Inst. of Science, Bangalore) º Singh, Abhishek K.
3B2-47 Invited Lecture#
Theoretical Design of Molecular Functional Materials Based on Symmetry and Periodicity (Kyoto Univ.) º Haruta, Naoki
3B2-49 Invited Lecture#
Transcorrelated method: solid-state calculation based on the Jastrow-Slater ansatz (Osaka Univ.) º Ochi, Masayuki
(17:20-17:30)
3B2-51 Opening Remarks / Closing Remarks#
Closing Address (Kyushu Univ.) º Terasaki, Akira