Oral Sessions

Thursday, September 17 (Starting at 9:00)

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.
You can open an abstract (pdf file) by following a link of Presentation Number from this web site.

Thursday Morning Sessions(September 17, starting at 9:00)

Venue A  [Gas phase]

9:00-9:182A01Infrared spectroscopy of the NO3, 2n4, 3n4-n4, n2+n4-n4 bands
(Faculty of Science of Okayama Univ.1,ST Enviroment Laboratory of Nagoya Univ.2,Graduate School of Information Science of Hiroshima City Univ.3)*Kentarou Kawaguchi1,Jian Tang1,Ryuji Fujimori2,Takashi Ishiwata3
9:18-9:362A02Vibrational assignment in the ground electronic state and vibronic interaction in the NO3 free radical
(Information Sciences, Hiroshima City University1,The Graduate University for Advanced Studies2)Masaru Fukushima1,*Eizi Hirota2
9:36-9:542A03Vibrational Structure of the X 2A2' electronic state of NO3 ( II )
(Graduate School of Information Sciences, Hiroshima City Univ.)*Masaru Fukushima,Takashi Ishiwata
9:54-10:122A04High-resoluion laser spectroscopy of NO3 and NO2 radicals in visible region
(Kobe Univ.1,Hiroshima City Univ.2,The Graduate Univ. for Adv. Studies3)*Shunji Kasahara1,Kohei Tada1,Hitomi Matsubara1,Michihiro Hirata1,Takashi Ishiwata2,Eizi Hirota3
10:12-10:302A05Infrared spectroscopic investigation of CH bond acidity in cationic alkanes
(Graduate School of Science, Tohoku Univ.)*Min Xie,Yoshiyuki Matsuda,Asuka Fujii
10:30-10:40
Break
10:40-10:582A06Hyperconjugation in the S1 state of substituted toluene probed by infrared spectroscopy
(Graduate School of Science , Tohoku Univ.1,College of Engineering , Nihon Univ.2)*Takashi Chiba1,Asuka Fujii1,Katsuhiko Okuyama2
10:58-11:162A07Microwave spectroscopy of hydroxymethyl hydroperoxide, a product of the reaction between CH2OO and water
(Graduate School of Arts and Sciences, Univ. Tokyo)*Masakazu Nakajima,Yasuki Endo
11:16-11:342A08Radiative decay dynamics in the ion-pair states of halogen molecules
(Grad. Sch. Chem. Sci. Technol., Tokyo Univ. of Sci.1,Fac. Info. Sci., Hiroshima City Univ.2)*Shoma Hoshino1,Takashi Ishiwata2,Mitsunori Araki1,Koichi Tsukiyama1
11:34-11:522A09High-resolution spectroscopy of naphthalene referenced to an optical frequency comb
(UEC1,Fukuoka Univ.2)Akiko Nishiyama1,Kazuki Nakashima2,Ayumi Matsuba2,*Masatoshi Misono2
11:52-12:102A10Lamb dip spectroscopy of CH3Br using a cw-OPO laser and pressure broadening measurements
(Graduate School of Science, Okayama Univ.)*Tomomi Fujiyama,Kenichirou Takihara,Kentarou Kawaguchi,Jian Tang

Venue B  [Surface/Interface]

9:00-9:182B01Heterodyne-detected sum frequency generation spectroscopy of free OH at the vapor/water interface: effect of isotopic dilution and electric double layer
(Graduate School of Science and Engineering, Saitama Univ.)*Yudai Suzuki,Yuki Nojima,Shoichi Yamaguchi
9:18-9:362B02Interface selective fourth-order coherent Raman spectroscopy in the time domain using sub-7-fs pulses
(Molecular Spectroscopy Lab., RIKEN1,Ultrafast Spectroscopy Research Team, RAP2)*Hikaru Kuramochi1,Satoshi Takeuchi1,2,Tahei Tahara1,2
9:36-9:542B03Real time observation of a photochemical reaction at the air/phenol aqueous solution interface by UV-excited time-resolved heterodyne-detected vibrational sum frequency generation spectroscopy
(Molecular Spectroscopy Laboratory, RIKEN1,Ultrafast Spectroscopy Research Team, RIKEN Center for Advanced Photonics2)*Ryoji Kusaka1,Satoshi Nihonyanagi1,2,Tahei Tahara1,2
9:54-10:122B04In-situ SFG Study on the Carbon/Electrolyte Solution Interface
(Catalysis Research Center, Hokkaido University)*Qiling Peng,Masatoshi Osawa,Shen Ye
10:12-10:302B05Sum frequency generation vibrational spectroscopic study on electric double layer structure at ionic liquid/electrolyte aqueous solution interface
(Graduate School of Science and Engineering, Tokyo Tech.1,Graduate School of Engineering, Kyoto Univ.2)*Takashi Iwahashi1,Mitsuhiro Ohashi1,Yasunari Sakai1,Naoya Nishi2,Yukio Ouchi1
10:30-10:40
Break
10:40-11:162B06[Invited Talk]Structures and dynamics of adsorbates on surfaces studied with nonlinear optical spectroscopy
(Graduate School of Science, Kyoto University)*Yoshiyasu Matsumoto
11:16-11:342B08Sum frequency generation spectroscopy of ice on Rh(111)
(Graduate School of Science, Kyoto Univ.)*Yuji Otsuki,Norihiro Aiga,Kuniaki Harada,Fumiaki Kato,Toshiki Sugimoto,Kazuya Watanabe,Yoshiyasu Matsumoto
11:34-11:522B09Effect of Pt(111) substrate on crystallization in amorphous solid water
(Graduate School of Science, Kyoto Univ.)*Kuniaki Harada,Fumiaki Kato,Toshiki Sugimoto,Kazuya Watanabe,Yoshiyasu Matsumoto
11:52-12:102B10Vibrationally-electronically doubly-resonant chiral SFG spectroscopy of binaphthyl derivatives : study of the electronic resonance effect
(Graduate School of Pure and Applied Sciences1,WPI-MANA, NIMS2)*Masanari Okuno1,Daisuke Ishikawa2,Waka Nakanishi2,Katsuhiko Ariga2,Taka-aki Ishibashi1

Venue C  [Liquid phase]

9:18-9:362C02Ion effects on hydration of protein observed by terahertz spectroscopy
(Appl. Phys., Univ. Tsukuba)*Toshiaki Hattori,Katsuyoshi Aoki,Kentaro Shiraki
9:36-9:542C03Molecular interactions of liquid benzene studied by temperature dependent soft X-ray absorption and infrared spectroscopies
(IMS1,SOKENDAI2,Okayama Univ.3,FU Berlin4)*Masanari Nagasaka1,2,Hayato Yuzawa1,Kenji Mochizuki1,3,Eckart Ruehl4,Nobuhiro Kosugi1,2
9:54-10:302C04[Young Scientist Award Talk]A spectroscopic study on the hydrogen bonding of water in solution by means of soft x-rays
(RIKEN)*Takashi Tokushima
10:30-10:40
Break
10:40-10:582C06The phase separation of S-ibuprofen / lidocaine mixture in aqueous phase
(Graduate School of Pharmaceutical Scineces, Tokyo Univ. Sci.1,Fac. Pharm. Sci., Tokyo Univ. Sci,2,Center for Drug Derivery Res., Fac. Pharm. Sci., Tokyo Univ. Sci.3,Center for Phys. Pharm., Res. Inst. Sci. Tech., Tokyo Univ. Sci.4,Division for Colloid and Interface Sci., Res. Inst. Sci. Tech., Tokyo Univ. Sci.5)*Hikaru Kataoka1,Kanako Shiono2,Ryo Tateuchi1,Yohsuke Shimada2,3,4,5,Satoru Goto2,3,4,5
10:58-11:162C07Orientation of 7CB and n-heptane in 7CB/n-heptane system exhibiting an induced smectic phase
(Kanazawa Univ.)*Yoshihide Kumagai,Ryutaro Ohashi,Tomonori Ida,Motohiro Mizuno
11:16-11:342C08Inhomogeneity of molecular distribution for supercritical aqueous solution of n-pentane at entire mole fraction range of n-pentane
(Graduate School of Advanced Integration Science, Chiba Univ.)*Satoshi Shibuta,Keiko Nishikawa,Takeshi Morita
11:34-11:522C09Infrared / Near-infrared absorption spectrum of methanol in a pyridine solvent
(Department of Biological and Chemical Systems Engineering, NIT, Kumamoto College.   1,Faculty of Science Graduate School, Josai Univ.2,School of Science and Technology, Kwansei Gakuin Univ.3)*Yoshisuke Futami1,Yasushi Ozaki2,Yukihiro Ozaki3
11:52-12:102C10Solute-solvent hydrogen-bonding in supercritical alcohols studied by Raman spectroscopy
(Graduate School of Science and Engineerin, Doshisha Univ.1,Faculty of Science and Engineering, Doshisha Univ.2)Takashi Fukura1,Masaki Okada2,Yoshiro Yasaka2,Masakatsu Ueno2,*Yoshifumi Kimura1,2

Venue D  [Solid phase]

9:00-9:182D01Spectral measurements of metal oxide powders by ATR farultraviolet spectroscopy
(Kwansei Gakuin University)*Ichiro Tanabe,Yosuke Yamada,Yukihiro Ozaki
9:18-9:362D02Physical property control of zinc oxide by hydrogen molecular ion irradiation at low temperature
(Graduate School of Science, Kyoto Univ.1,Graduate School of Engineering, Kyushu Univ.2,JST-CREST3)*Ryo Nakayama1,Mitsuhiko Maesato1,Takashi Nagaoka2,Makoto Arita2,Hiroshi Kitagawa1,3
9:36-9:542D03Hydrogen-bonding structure and mechanical response of ferroelastic boric acid crystal
(Graduate School of Engineering, Tohoku University1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University2)*Shota Uchikawa1,Norihisa Hoshino1,2,Takashi Takeda1,2,Tomoyuki Akutagawa1,2
9:54-10:122D04Electrochemical measurement of nanoparticles based on charge-transfer complexes
(Graduate School of Engineering, Tokyo Tech.)*Ryonosuke Sato,Yasuhiro Kiyota,Takehiko Mori
10:12-10:302D05Donor dependence of metal-like transfer properties at the contact interfaces between organic single crystals
(Grad. Sch. of Chem. Sci. and Eng., Hokkaido Univ.1,Dept. of Chem., Fac. of Sci., Hokkaido Univ.2,JST,CREST, Fac. of Sci., Hokkaido Univ.3)*Takuro Shimada1,Yukihiro Takahashi1,2,Hiroyuki Hasegawa2,3,Jun Harada1,2,Tamotsu Inabe1,2,3
10:30-10:40
Break
10:40-10:582D06Phase transitions and dielectric responses arising from molecular motion of polar molecules in charge-transfer complex crystals
(Grad. Sch. Chem. Sci. and Eng., Hokkaido Univ.1,Fac. Sci., Hokkaido Univ.2)*Masaki Ohtani1,Jun Harada1,2,Yukihiro Takahashi1,2,Tamotsu Inabe1,2
10:58-11:162D07Design of organic ionic ferroelectric crystals based on molecular motions
(Faculty of Science, Hokkaido University1,Graduate School of Chemical Sciences and Engineering, Hokkaido University2)*Jun Harada1,2,Takafumi Shimojo2,Hideaki Oyamaguchi2,Hiroyuki Hasegawa1,Yukihiro Takahashi1,2,Tamotsu Inabe1,2
11:16-11:342D08Self-contact organic transistors using chemical doping and BTBT-based molecular conductors
(University of Hyogo1,Okayama University of Science2,Tokyo Institute of Technology3,JST4)*Tomofumi Kadoya1,Kaoru Yamamoto2,Takehiko Mori3,4,Jun-ichi Yamada1
11:34-11:522D09Design and structure-property relationship of benzothienoisoindigo in organic field effect transistors
(Tokyo Tech)*Tsukasa Hasegawa,Minoru Ashizawa,Hidetoshi Matsumoto
11:52-12:102D10Design and structure-function relationship of diazaisoindigo derivatives
(Tokyo Institute of Technology)*Minoru Ashizawa,Tsukasa Hasegawa,Junya Hiyoshi,Susumu Kawauchi,Hidetoshi Matsumoto

Venue E  [Theory/Calculation]

9:00-9:182E01The b-photon,f-electron,fc-positron algebras in the real-time simulation of the quantum electron spin vorticity theory
(Graduate School of Engineering, Kyoto University)*Akitomo Tachibana
9:18-9:362E02Simulation of time-evolution based on Rigged QED
(Depratment of Micro Engineering, Kyoto Univ.)*Masato Senami,Akitomo Tachibana
9:36-9:542E03Time evolution of Heisenberg operators and wave function in quantum electrodynamics
(Graduate school of Engineering, Kyoto Univ.)*Kazuhide Ichikawa,Masahiro Fukuda,Akitomo Tachibana
9:54-10:122E04Local picture of relativistic electronic state based on the spin vorticity principle
(Graduate school of Engineering, Kyoto Univ.)*Masahiro Fukuda,Kota Soga,Masato Senami,Akitomo Tachibana
10:12-10:302E05Analysis of local electric conductive properties by electronic tension density
(Kyoto Univ.)*Hiroo Nozaki,Masato Senami,Kazuhide Ichikawa,Akitomo Tachibana
10:30-10:40
Break
10:40-10:582E06Development of the fragment molecular orbital method based on density functional theory
(AIST, NMRI)*Dmitri Fedorov
10:58-11:162E07ABINIT-MP based FMO calculations applied to manufacturing fields
(Rikkyo Univ., Fac. Sci.1,Univ. Tokyo, IIS2)*Yuji Mochizuki1,2
11:16-11:342E08Theoretical analysis of H/D isotope shift in Photoactive Yellow Protein
(Grad. Sch. Info., HCU1,Grad. Sch. Nanobio., YCU2)*Yusuke Kanematsu1,2,Yu Takano1,Masanori Tachikawa2
11:34-11:522E09Analysis of exictation energies and their fluctuations of pigments in light-harvesting antennas with molecular simulation
(Faculty of Science, Univ. of the Ryukyus1,IMS2,SOKENDAI3)*Masahiro Higashi1,Shinji Saito2,3
11:52-12:102E10Charge and energy transfer analysis of strand break processes in model duplex DNAs
(Graduate School of Science, Tohoku Univ.1,IMRAM, Tohoku Univ.2)*Naoki Hishinuma1,Manabu Kanno1,Yasushi Kino1,Kimio Akiyama2,Hirohiko Kono1

Thursday Afternoon Sessions(September 17, starting at 13:20)

Venue A  [Clusters/Particles/Nanostructures]

13:38-13:562A12Low-energy collision between helium droplets and size-selected cobalt cluster ions
(Genesis Res. Inst.1,Toyota Tech. Inst.2)*Hideho Odaka1,Masahiko Ichihashi2
13:56-14:142A13Reactivity of Cobalt Cluster Ions with NO under Thermal Condition
(Graduate School of Arts and Sciences, Univ. Tokyo)*Kohei Koyama,Satoshi Kudoh,Ken Miyajima,Fumitaka Mafune
14:14-14:322A14Reactivity of zirconium oxide clusters with NO and CO
(Graduate School of Arts and Sci., Univ. Tokyo)*Ken Miyajima,Fumitaka Mafune
14:32-14:502A15Structures and CO-adsorption of metal oxide cluster ions studied by ion mobility mass spectrometry
(Inst. Exc. High. Edu., Tohoku Univ.1,Graduate School of Science, Tohoku Univ.2)*Keijiro Ohshimo1,2,Shohei Azuma2,Tatsuya Komukai2,Ryoichi Moriyama2,Motoyoshi Nakano2,Fuminori Misaizu2
14:50-15:00
Break
15:00-15:182A16Reaction sites of CO on size-selected silicon-oxide cluster anions as a model of mineral surfaces
(Faculty of Sciences, Kyushu Univ.)*Masashi Arakawa,Ryo Yamane,Akira Terasaski
15:18-15:362A17Elucidation of oxygen binding form of rhodium oxide clusters by thermal desorption spectroscopy
(Graduate School of Arts and Sci. Univ. Tokyo)*Masato Takenouchi,Ken Miyajima,Fumitaka Mafune
15:36-15:542A18Reaction processes between cerium oxide clusters and nitric oxide investigated with gas-phase temperature-programmed desorption
(Sch. Arts & Sci., Univ. Tokyo)*Toshiaki Nagata,Ken Miyajima,Fumitaka Mafune
15:54-16:122A19Activation of nitrogen molecules adsorbed on transition metal cluster anions
(School of Science, The Univ. of Tokyo1,ESICB, Kyoto Univ.2)*Kiichirou Koyasu1,2,Akimaro Yanagimachi1,Tatsuya Tsukuda1,2
16:12-16:302A20Analysis of hydrogen bond energies and hydrogen bonding networks in water clusters(H2O)n(n≧8):Isomer Search by GRRM and Analysis by LPMO PT
(Graduate School of Sceince, Hiroshima University1,Graduate School of Science, Tohoku University2,Institute for Quantum Chemical Exploration3,Faculty of Science and Technology, Keio University4)Dai Akase1,Misako Aida1,Koichi Ohno2,3,*Suehiro Iwata4

Venue B  [Surface/Interface]

13:20-13:382B11Surfactant adsorbed human hair model interfaces probed by sum-frequency generation spectroscopy
(AIST)*Takayuki Miyamae
13:38-13:562B12Collaborative molecular dynamics and SFG study on the interface of organic carbonate liquids
(Graduate School of Science, Tohoku University1,Catalysis Research Center, Hokkaido University2,ESICB, Kyoto University3)*Lin Wang1,3,Qiling Peng2,Shen Ye2,3,Akihiro Morita1,3
13:56-14:322B13[Young Scientist Award Talk]Theoretical Study of Structure, Spectroscopy, and Transport at Liquid Interfaces
(Graduate School of Science and Engineering, University of Toyama)*Ishiyama Tatsuya
14:32-14:502B15In-situ electrochemical surface enhanced raman scattering observation of hydrogen evolution process at metal nano structure
(Department of Chemistry, Faculty of Science, Hokkaido Univ.)*Hiro Minamimoto,Satoshi Yasuda,Murakoshi Kei
14:50-15:00
Break
15:00-15:182B16Investigation on metal-molecule interface of the single molecular junction
(Graduate School of Science and Technology, Tokyo Institute of Technology)*Manabu Kiguchi,Satoshi Kaneko,Daigo Murai
15:18-15:362B17Interface-structure dependence of surface enhanced Raman scattering of benzene derivatives utilizing Au nanostructure
(Graduate School of Science and Engineering)*Satoshi Kaneko,Sho Suzuki,Manabu Kiguchi
15:36-15:542B18Bowl inversion of sumanene molecules adsorbed on Au(111)
(Graduate School of Science and Engineering, Tokyo Inst. of Tech1,Institure for Molecular Science2,Graduate School of Engineering, Osaka University3)*Shintaro Fujii1,Maxim Ziatdinov1,Manabu Kiguchi1,Shuhei Higashibayashi2,Hidehiro Sakurai3
15:54-16:122B19Temperature dependence of thermopower of single Au atomic junction
(Tokyo Institute of Technology)*Ryuji Matsushita,Satoshi Kaneko,Manabu Kiguchi
16:12-16:302B20Investigation on the electronic structure of the single molecular junction of benzene derivatives
(Graduate School of Science, Tokyo Tech.)*Yuki Komoto,Shintaro Fujii,Manabu Kiguchi

Venue C  [Liquid phase]

13:20-13:382C11Time-resolved X-ray absorption spectroscopy of photochemical reaction of [FeIII(C2O4)3]3-
(RIKEN1,Tokyo U. of Agriculture and Technology2,JASRI3,University of Chemistry and Technology4,Kyoto U.5)*Toshinori Suzuki5,Yoshihiro Ogi1,Yuki Obara2,Tetsuo Katayama3,Yoshi-ichi Suzuki5,Suet yi Liu1,Nathaniel Bartlett1,Naoya Kurahshi5,Shutaro Karashima5,Tadashi Togashi1,Yuichi Inubushi3,Makina Yabashi1,Kazuhiko Misawa2,Petr Slavicek4
13:38-13:562C12Time- and angle- resolved photoemission spectroscopy of the excited-state dynamics of a hydrated electrons
(Graduate School of Science, Kyoto University)*Shutaro Karashima,Yo-ichi Yamamoto,Toshinori Suzuki
13:56-14:142C13Ultrafast Nuclear Wavepacket Motion Observed for Intramolecular Charge Separation Reaction of Bianthryl Derivative.
(College of Life Sciences, Ritsumeikan Univ.1,PRESTO, JST2,Grad. Sch. of Engi. Scie., Osaka Univ.3)*Yutaka Nagasawa1,2,Eisuke Takeuchi3,Masayasu Muramatsu3,Tetsuro Katayama3,Yusuke Yoneda3,Hiroshi Miyasaka3
14:14-14:322C14Dynamics of rotational relaxation of solute in alcohol solutions probed by infrared pump-probe spectroscopy
(Graduate School of Science, Kobe Univ.1,Molecular Photoscience Research Center, Kobe Univ.2)*Masaki Okuda1,Kaoru Ohta2,Keisuke Tominaga1,2
14:32-14:502C15Observation of ultrafast dynamics in Betaine30 by two-dimensional electronic - vibrational spectroscopy
(Graduate School of Science&Engineering,Ritumeikan Univ.1,Univ.California,Berkeley2,IMSCIMos3)*Takahiro Teramoto1,2,Thomas Oliver2,Nicholas Lewis2,Hui Dong2,Akihito Ishizaki3,Graham Fleming2
14:50-15:00
Break
15:00-15:182C16Elucidation of photochemical processes in transition metal complexes using time-resolved infrared spectroscopy
(PRESTO-JST1,Tokyo Tech.2)*Ken Onda1,2,Sei'ichi Tanaka2,Tatsuhiko Mukuta2,Masataka Funakai2,Kyohei Tanno2
15:18-15:362C17Time-resolved near-infrared study on electronic dynamics of alpha-polythiophene: comparison with alpha-oligothiophenes
(Faculty of science, Gakushuin University.)*Shunnosuke Okino,Tomohisa Takaya,Koichi Iwata
15:36-15:542C18Solvent dependence of excitation dynamics of poly(3-hexylthiophene) studied by time-resolved near-IR stimultated Raman spectroscopy
(Faculty of Science, Gakushuin Univ.)*Tomohisa Takaya,Koichi Iwata
15:54-16:122C19Structural distribution dynamics of barrierless reaction observed by near-IR femtosecond stimulated Raman spectroscopy
(Molecular Spectroscopy Lab., RIKEN1,Biomol. Eng., Tokyo Tech.2,RAP, RIKEN3)*Shinya Tahara1,2,Satoshi Takeuchi1,3,Hiroyuki Ohtani2,Tahei Tahara1,3
16:12-16:302C20Development of Fourier transform two dimensional transient absorption spectrometer: observation of multicolor multistep process
(Molecular Photoscience Research Center, Kobe Univ.1,Center for Teaching, Learning and Technology, Kio University2)Hiroshi Anzai1,Neeraj kumar Joshi1,Masanori Fuyuki2,*Akihide Wada1

Venue D  [Solid phase]

13:20-13:382D11Physical properties of a hydrogen-bonded solid based on a bimetal complex
(Graduate School of Science, Kyoto Univ.1,Japan Synchrotron Radiation Research Institute (JASRI)2,Graduate School of Science and Technology, Kwansei Gakuin Univ.3,Core Research for Evolutional Science and Technology (CREST)4)*Mikihiro Hayashi1,Kazuya Otsubo1,Mitsuhiko Maesato1,Kunihisa Sugimoto2,Akihiko Fujiwara3,Hiroshi Kitagawa1,4
13:38-13:562D12Structures and properties of BEDT-TTF-based salts of octamethylferrocenedisulfonate
(Graduate School of Science, Osaka Univ.1,Graduate School of Material Science, Univ. of Hyogo2)Ryuichiro Hashimoto2,*Hiroki Akutsu1,2,Jun-ichi Yamada2,Shin'ichi Nakatsuji2,Yasuhiro Nakazawa1
13:56-14:142D13Structural and physical properties of radical cation salts based on iodine-containing TTF derivative (EDO-TTF-I)
(LTM Center, Kyoto Univ.1,Graduate School of Science, Kyoto Univ.2,IMS3)*Yoshiki Oe1,2,Yusuke Takahashi1,2,Yoshiaki Nakano1,Manabu Ishikawa1,Hideki Yamochi1,Mikio Uruichi3
14:14-14:322D14Catechol-fused TTF-based organic conductors: modulation of hydrogen-bonding interactions and physical properties by chemical modification of TTF skeleton
(The Institute for Solid State Physics, The University of Tokyo1,KEK2)*Junya Yoshida1,Akira Ueda1,Reiji Kumai2,Youichi Murakami2,Hatsumi Mori1
14:32-14:502D15S/Se substitution on purely organic conductors based on catechol-fused TTF derivatives: effects on the deuterium- and electron-transfer phase transition
(The Institute for Solid State Physics, The Univ. of Tokyo1,Fac. of Science Division I, Tokyo University of Science2,High Energy Accelerator Research Organization (KEK)3)*Akira Ueda1,Akari Hatakeyama1,2,Masaya Enomoto2,Reiji Kumai3,Youichi Murakami3,Hatsumi Mori1
14:50-15:00
Break
15:00-15:362D16[Invited Talk]New perspective on the interaction-driven metal-insulator transition and superconductivity
(University of Tokyo)*Kazushi Kanoda
15:36-15:542D18Pressure effect on the phase transition behavior of (EDO-TTF-Cl)2PF6
(LTM Center, Kyoto Univ.1,Grad. Sch. Sci., Kyoto Univ.2,Facul. Agricul., Meijo Univ.3,Inst. Mol. Sci.4,Toyota Phys. & Chem. Res. Inst.5)*Manabu Ishikawa1,3,Mitsuhiko Maesato2,Yoshiaki Nakano1,Takaaki Hiramatsu1,3,Mikio Uruichi4,Akihiro Otsuka1,Hideki Yamochi1,Gunzi Saito3,5
15:54-16:122D19Physical properties of π–d hybrid (DIETSe)2FeBr3Cl under high magnetic field
(Graduate School of Science, Kyoto Univ.1,Dep. of Mater. Sci. and Tech., Nagaoka Univ. of Tech.2,NHMFL3)*Genta Kawaguchi1,Mitsuhiko Maesato1,Tokutaro Komatsu1,Hiroshi Kitagawa1,Tatsuro Imakubo2,David Graf3,Andhika Kiswandhi3,James Brooks3
16:12-16:302D20Dynamism in the double-decker supramolecular cation (p-phenylenediamine)2(H+)3(dicyclohexano[18]crown-6)3 crystal
(Graduate School of Environmental Science, Hokkaido Univ.1,RIES, Hokkaido Univ.2,IMRAM, Tohoku Univ.3)*Yu Ohshima1,Kazuya Kubo1,2,Shin-ichiro Noro1,2,Tomoyuki Akutagawa3,Takayoshi Nakamura1,2

Venue E  [Theory/Calculation]

13:20-13:382E11Highly accurate, numerical methods of calculation for mathematical functions defined by integrals: Feedback from atomic structure calculations to mathematics and numerical analysis
(no affiliation)*Hideaki Ishikawa
13:38-13:562E12Development of the computer programs for molecular integrals over the non-integer n Slater-type orbitals. II. Parallel computation of the electron-repulsion integral
(No affiliation)*Kazuhiro Ishida
13:56-14:142E13Theoretical synthetic chemistry method as chemical theory of Schroedinger accuracy
(Quantum Chemistry Research Institute)*Hiroshi Nakatsuji,Hiroyuki Nakashima,Yusaku Kurokawa,Tomoo Miyahara
14:14-14:322E14Solving the Schroedinger equations by the FC-LSE method: Theory and development based on the locality
(Quantum Chemistry Research Institute)*Hiroyuki Nakashima,Yusaku Kurokawa,Hiroshi Nakatsuji
14:32-14:502E15Extension of frozen core potential method: consideration of core-orbital relaxation
(Waseda Univ.1,RISE2,JST-CREST3,ESICB, Kyoto Univ.4)*Yuya Nakajima1,Junji Seino2,Hiromi Nakai1,2,3,4
14:50-15:00
Break
15:00-15:182E16Quantum-Chemical calculations of the scalar-pseudoscalar interaction in heteronuclear diatomicmolecules
(Graduate School of Science, Tokyo Metropolitan Univ.1,Graduate School of Science, Tokyo Institute of Technology2)*Ayaki Sunaga1,Minori Abe1,Bhanu Das2,Masahiko Hada1
15:18-15:362E17Quantum Monte Carlo simulations of molecular interactions
(School of Information Science, JAIST)*Kenta Hongo,Ryo Maezono
15:36-15:542E18Development of the Free Complement method by combination of the variational and sampling methods
(QCRI)*Yusaku Kurokawa,Hiroyuki Nakashima,Hiroshi Nakatsuji
15:54-16:122E19A Study of Fidelity in Molecular Spin Based Adiabatic Quantum Computers
(Graduate School of Science, Osaka City University)*Satoru Yamamoto,Shigeaki Nakazawa,Kenji Sugisaki,Kazunobu Sato,Kazuo Toyota,Daisuke Shiomi,Takeji Takui
16:12-16:302E20Electronic coupling calculations with transition charges, dipoles, and quadrupoles derived from electrostatic potential fitting
(Faculty of Pharmaceutical Sciences, Hokuriku Univ.)*Kazuhiro Fujimoto