Oral Sessions

Wednesday, September 24 (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.

Wednesday Morning Sessions(September 24, starting at 9:00)

Venue A  [Gas phase]

9:00-9:184A01Hyperfine structure and isotope shifts in sub-Doppler two-photon-excitation Rydberg spectra of xenon
(RSPE, ANU1,MQ Photonics RC, MU2,SIS3)*Mitsuhiko Kono1,3,Yabai He2,Brian Orr2,Kenneth Baldwin1
9:18-9:364A02Internal energy distribution of isolated ions measured by ion storage experiments
(Graduate School of Science and Engineering1,RIKEN2,Univ. Gothenburg3)Takeshi Furukawa1,Jun Matsumoto1,Hajime Tanuma1,Klavs Hansen3,Toshiyuki Azuma2,*Haruo Shiromaru1
9:36-9:544A03Infrared spectroscopy of alcohol cations generated by vacuum-ultraviolet one-photon ionization
(Graduate School of Science, Tohoku Univ.)*Hiroyuki Harigaya,Yoshiyuki Matsuda,Asuka Fujii
9:54-10:124A04Time-resolved Coulomb explosion ion imaging of the NIR-induced coherent vibration of C60
(東北大院・理1,産総研2,東北大・多元研3)*Kaoru Yamazaki1,Naoyuki Niitsu2,Wilfredo credo Chung1,Manabu Kanno1,Kiyoshi Ueda3,Hirohiko Kono1
10:12-10:304A05Circular dichroism in photoelectron angular distributions of achiral molecules upon multiphoton ionization
(Kyoto University1,RIKEN2)*Yoshi-ichi Suzuki1,2,Toshinori Suzuki1,2
10:30-11:064A06[Invited Talk]Molecular science with electron collisions
(IMRAM, Tohoku Univ.)*Masahiko Takahashi
11:06-11:244A08Ultrafast two-photon Rabi oscillation processes of He atoms in intense NIR laser fields
(Graduate School of Science, Nagoya Univ.1,RIKEN2,Fu-Jen Catholic Univ.3,JASRI4,Faculty of Science, Niigata Univ.5,Department of Engineering Science, The University of Electro-Communications6)*Mizuho Fushitani1,2,Chien-nan Liu3,Akitaka Matsuda1,Tomoyuki Endo1,Yuto Toida1,Mitsuru Nagasono2,Tadashi Togashi4,Yasumasa Hikosaka2,5,Toru Morishita6,Akiyoshi Hishikawa1,2
11:24-11:424A09Kinetic study on vibrational relaxation of OH(X2Π) by He and Ar
(Graduate School of Science, Hiroshima Univ.1,JAEA2)*Chihiro Kadochiku1,Nanase Kohno2,Miyo Shinohara1,Hiroshi Kohguchi1,Katsuyoshi Yamasaki1

Venue B  [Surface/Interface]

9:00-9:184B01Investigation on the electronic structure of the single molecular junction based on the current-voltage characteristics
(Graduate School of Science and Engineering,Tokyo Tech.)*Yuki Komoto,Shintaro Fujii,Manabu Kiguchi
9:18-9:364B02Single molecular resistive switch
(Graduate School of Science and Engineering, Tokyo Institute of Technology1,Nanosystem Research Institute, AIST2,National Institute for Materials Science3)*Manabu Kiguchi1,Tatsuhiko Ohto2,Shintaro Fujii1,Kazunori Sugiyasu3,Shigeto Nakashima1,Masayuki Takeuchi3,Hisao Nakamura2
9:36-9:544B03Effect of molecular conductance on electrochemical reaction through molecular layers
(Graduate School of Chemical Sciences and Engineering, Faculty of science, Hokkaido Univ.1,Japan Science and Techology Agency, PRESTO2,Department of Chemistry, Faculty of science, Hokkaido Univ.3)*Shino Sato1,Kei Murakoshi3,Katsuyoshi Ikeda3,2
9:54-10:124B04Electrical rectification in hetero-stacked pi-conjugated molecules
(Tokyo Inst. of Tech.1,MCES, Tokyo Inst. of Tech.2,Tokyo Univ.3)*Shintaro Fujii1,Yuki Komoto1,Sougin Jin1,Manabu Kiguchi1,Tomofumi Tada2,Takafumi Osuga3,Takashi Murase3,Makoto Fujita3
10:12-10:304B05Structural and transport properties of ionic liquid / ruburene single crystal interfaces
(Graduate School of Engineering Science, Osaka Univ.1,Graduate School of Frontier Science, Univ. Tokyo2,ISIR, Osaka Univ.3)*Yasuyuki Yokota1,Hisaya Hara1,Yusuke Morino1,Ken-ichi Bando1,Akihito Imanishi1,Yugo Okada2,3,Hiroyuki Matsui2,Takafumi Uemura2,3,Jun Takeya2,3,Ken-ichi Fukui1
10:30-10:484B06Novel self-driven motion of oil-droplets of caged oleic acid
(Faculty of Science, Kanagawa Univ.1,Research Center for Complex Systems Biology, Grad. School of Arts and Sci., Univ. of Tokyo2)*Kentaro Suzuki1,2,Michiyuki Nakayama1,Tadashi Sugawara1,2
10:48-11:064B07Selectively Controlled Orientational Order in Linear-Shaped Thermally Activated Delayed Fluorescent Dopants
(Program for Leading Graduate Schools, Kyushu Univ.1,OPERA. Kyushu Univ.2,WPI-I2CNER, Kyushu Univ.3)*Takeshi Komino1,2,Hiroyuki Tanaka2,Chihaya Adachi1,2,3
11:06-11:244B08Enhancement of photoconductivity in Si-nanocrystal/P3HT hybrid film prepared by successive drop casting method
(N-BARD, Hiroshima Univ.1,Faculty of Science, Hiroshima Univ.2,JASRI3,Graduate School of Science, Hiroshima Univ.4)*Daisuke Kajiya1,2,Tomoyuki Koganezawa3,Ken-ichi Saitow1,2,4
11:24-11:424B09Fabrication of uniaxially oriented P3HT film by soft friction transfer method
(Graduate School of Science, Hiroshima Univ.1,N-BARD, Hiroshima Univ.2,Faculty of Science, Hiroshima Univ.3,JASRI4)*Masayoshi Imanishi1,Daisuke Kajiya2,3,Tomoyuki Koganezawa4,Ken-ichi Saitow1,2,3

Venue C  [Biomolecules]

9:00-9:184C01Raman Spectroscopy Study on Naturation Process of Insulin Amyloid Fibril
(Graduate School of Science and Technology, Kwansei Gakuin Univ.1,Graduate School of Science, Osaka Univ.2)*Tatsuya Furukawa1,Shigeki Yamamoto2,Yukihiro Ozaki1
9:18-9:364C02Self-assembly of Positively Charged Platinum Nanoparticles in Lysozyme Crystal
(Genesis Res. Inst., Inc.1,The University of Tokyo2)*Yoshihiro Takeda1,Fumitaka Mafune2
9:36-9:544C03Experimental and Theoretical Approach to Proton-transfer in Catalysis by Carbonic Anhydrase
(JAIST1,Graduate School of Science, Kanazawa Univ.2)*Hideto Shimahara1,Muhammad Koyimatu2,Kimikazu Sugimori2,Hiroaki Saito2,Kazutomo Kawaguchi2,Hidemi Nagao2
9:54-10:124C04Theoretical Study of Tautomerization and Conformations of His64 in Human Carbonic Anhydrase II
(Kanazawa University1,Japan Advanced Institute of Science and Technology2)*Muhamad Koyimatu1,Hideto Shimahara2,Kimikazu Sugimori1,Hiroaki Saito1,Kazutomo Kawaguchi1,Hidemi Nagao1
10:12-10:304C05QSAR study on the inhibition mechanism of matrix metalloproteinase-12 by arylsulfone analogues
(Kyushu Univ. IMCE1,Graduate School of Pharmaceutical Sciences, University of Tokushima2)*Seiji Hitaoka1,Hiroshi Chuman2,Kazunari Yoshizawa1
10:30-10:484C06Theoretical elucidation on the full chemical reactions of assimilatory nitrite reductase
(Grad. Sch. Pure & Appl. Sci., Univ. Tsukuba1,CCS, Univ. Tsukuba2,Grad. Sch. Sys. & Info. Engi., Univ. Tsukuba3,Grad. Sch. Sci., Hiroshima Univ.4)*Mitsuo Shoji1,2,Wataru Tanaka1,Yuzuru Ujiie1,Megumi Kayanuma3,Hiroaki Umeda2,Yasuteru Shigeta1,2,Shogo Nakano4,Katsuo Katayanagi4
10:48-11:064C07Theoretical study on substrate binding process and dynamical conformational change of enzyme
(Graduate School of Engineering Science, Osaka University1,Graduate School of Pure and Applied Sciences, University of Tsukuba2,JST, CREST3)*Takeshi Baba1,Ryuhei Harada2,3,Masayoshi Nakano1,Yasuteru Shigeta2,3
11:06-11:244C08Disruption of amyloid fibril by ultrasonication to in non-equilibrium molecular dynamics simulations
(Inst. Mol. Sci.1,SOKENDAI2)*Hisashi Okumura1,2,Satoru Itoh1,2
11:24-11:424C09Theoretical design of ideal proteins with a function
(University of Washington, Department of Biochemistry)*Takahiro Kosugi,Nobuyasu Koga,Rie Tatsumi-koga,David Baker

Venue D  [Solid phase]

9:00-9:184D01Ambipolar organic transistors based on semiquinones
(Tokyo Institute of Technology)*Toshiki Higashino,Shouhei Kumeta,Sumika Tamura,Yoshio Ando,Ken Ohmori,Keisuke Suzuki,Takehiko Mori
9:18-9:364D02Transfer characteristics of organic transistors using charge-transfer complexes with structural phase transitions
(Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Department of Chemistry, Faculty of Science, Hokkaido Univ.2,JST-CREST3,Department of Chemistry, Nagoya Univ.4)*Seiya Yokokura1,Yukihiro Takahashi2,3,Hiroyuki Hasegawa2,3,Jun Harada2,3,Tamotsu Inabe2,3,Michio Matsushita4,Kunio Awaga4
9:36-9:544D03Carrier Transport and Ratio-Dependent Electronic Structures in Organic Blend Thin-Films
(Graduate School of Science, Nagoya Univ.1,Research Center for Materials Science, Nagoya Univ.2)*Chihiro Nanjo1,Takuya Fujimoto1,Michio Matsushita1,Kunio Awaga2
9:54-10:124D04Near-IR stimulated resonance Raman spectra of charge carriers photogenerated in poly(3-hexylthiophene) blend films
(Faculty of Science, Gakushuin Univ.1,Graduate School of Advanced Science and Engineering, Waseda Univ.2)*Tomohisa Takaya1,Ippei Enokida2,Koichi Iwata1,Yukio Furukawa2
10:12-10:304D05Intermolecular interactions of sulfur containing aromatic molecules: Analysis of electrostatic, dispersion and orbital-orbital interactions
(Nanosystem Res. Inst., AIST1,Inst. Chem. Res., Kyoto Univ.2)*Seiji Tsuzuki1,Naoki Sato2
10:30-10:484D06Phonon Modes of Molecular Crystals Studied by Terahertz Spectroscopy and Solid-State Density Functional Theory; A Concept of Vibrational Coordinate Distribution
(Molecular photoscience research center, Kobe Univ.1,Center for condensed matter sciences, National Taiwan Univ.2)*Feng Zhang1,Houng-wei Wang2,Keisuke Tominaga1,Michitoshi Hayashi2
10:48-11:064D07Ultrafast dynamics of coherent phonons and singlet fission in rubrene single crystal
(Graduate School of Science, Kyoto University1,Department of Frontier Sciences, The University of Tokyo2)*Kiyoshi Miyata1,Shunsuke Tanaka1,Toshiki Sugimoto1,Kazuya Watanabe1,Takafumi Uemura2,Jun Takeya2,Yoshiyasu Matsumoto1
11:06-11:244D08Electric field assisted non-adiabatic tunneling in methylene linked phenanthrene-(CH2)n-phthalimide as revealed by electrophotoluminescence
(Research Institute for Electronic Science, Hokkaido University)*Kamlesh Awasthi,Nobuhiro Ohta
11:24-11:424D09Photocurrent Action Spectra of Perfluoropentacene Thin Films
(Institute for Chemical Research, Kyoto Univ.)*Richard Murdey,Naoki Sato

Venue E  [Theory/Calculation]

9:00-9:184E01High accuracy calculations using the model space quantum Monte Carlo method
(Graduate School of System Informatics, Kobe Univ.)*Yuhki Ohtsuka,Seiichiro Ten-no
9:18-9:364E02Anharmonic vibrational analysis of polyatomic molecules with quantum Monte Carlo method
(Graduate School of Nanobioscience, Yokohama City Univ.)*Osamu Fujioka,Yukiumi Kita,Masanori Tachikawa
9:36-9:544E03Molecular interactions of cyclohexasilane dimers: a quantum Monte Carlo study
(Graduate School of Information Science, JAIST)*Kenta Hongo,Ryo Maezono
9:54-10:124E04Theoretical investigation of the binding of a positron to polyatomic molecules including the effect of molecular vibration
(Yokohama City Univ.)*Yukiumi Kita,Yurika Yamada,Masanori Tachikawa
10:12-10:304E05Molecular geometry optimizations by the HFB method that takes account for static electron correlation
(Faculty of Science, Hokkaido Univ.)*Masato Kobayashi,Tetsuya Taketsugu
10:30-10:484E06Developing theory and program of precise vibrational analysis for the systems with multi-minima on the potential energy surface.
(Graduate School of Science and Engineering)*Hibiki Iwase,Kiyoaki Kitayama,Masaki Mamiya,Kenrou Hashimoto
10:48-11:064E07Quantum Chemical Exploration of Molecular Aggregates
(Institute for Quantum Chemical Exploration1,Wakayama University2)*Koichi Ohno1,Hideo Yamakado2
11:06-11:424E08[Invited Talk]Electron dynamics and theory of chemical reactions
(Graduate School of Arts and Sciences, Univ. Tokyo)*Kazuo Takatsuka

Wednesday Afternoon Sessions(September 24, starting at 14:30)

Venue A  [Gas phase]

14:30-14:484A10Nonadiabatic calculations of ultraviolet absorption cross-section of sulfur Monoxide II: Isotopic and broadening effects
(Sophia University, Faculty of Science and Technology1,Sophia University, Faculty of Science and Technology2,P. N. Lebedev Physical Institute of Russian Academy of Sciences3,Department of Chemistry, Faculty of Science, Niigata University4)*Sebastian Danielache1,Shinkoh Nanbu2,Alexey Kondorsky3,Ikuo Tokue4
14:48-15:064A11Multidimensional nonadiabatic dynamics with quantum phases for electronic excited states
(Fac. Sci. and Tech., Sophia Univ.1,Inst. of Phys., NCTU2,Lebedev Phys. Inst.3,Inst. of Mol. Sci., NCTU4)*Tatsuhiro Murakami1,Yoshiaki Teranishi2,Alexey Kondorskiy3,Hiroki Nakamura4,Shinkoh Nanbu1
15:06-15:244A12Time-resolved (e,2e) electron momentum spectroscopy of acetone: Theoretical analysis of the electron dynamics
(IMRAM, Tohoku Univ.1,NCTU2)*Masakazu Yamazaki1,Hiroyuki Nakazawa1,Keiya Oishi1,Chaoyuan Zhu2,Masahiko Takahashi1
15:24-15:424A13Construction of global ab initio potential energy surfaces for the HNS system and reaction dynamics on the formation mechanism of the NS radical molecule
(Graduate School of Science and Engineering, Saitama Univ.)*Kazuma Sato,Toshiyuki Takayanagi
15:42-16:004A14Hydration structure of a proton and its hydrogen bonding network
(Graduate School of Science, Hiroshima Univ.1,QuLiS2)*Dai Akase1,2,Misako Aida1,2
16:00-16:184A15Orientation control of CO molecules with a combination of fs-laser and THz pulses: Pulse-energy-specified optimal control simulation
(Graduate School of Science, Tohoku Univ.)*Masataka Yoshida,Yukiyoshi Ohtsuki,Hirohiko Kono

Venue B  [Clusters/particles/nanostructures]

14:30-14:484B10Frequencies and absorption intensities of the fundamental and the overtone of NH stretching vibrations of NH---N hydrogen bonding complexes of pyrrole---methylpyridine derivatives
(Dept. of Bio. and Chem. Sys. Eng., Kumamoto NCT1,Dept. of Chem., Fac. of Sci., Josai Univ.2,The Open Univ. of Japan3,Dept. of Chem., School of Sci. and Tech., Kwansei Gakuin Univ.4)*Yoshisuke Futami1,Yasushi Ozaki2,Yoshiaki Hamada3,Yukihiro Ozaki4
14:48-15:064B11Time-resolved fluorescence spectroscopic study on pulse-laser ablation of organic microcrystals in liquid
(Graduate School of Science and Engineering, Ehime University)*Tsuyoshi Asahi,Takayuki Ishikawa,Kohta Shikama,Yukihide Ishibashi
15:06-15:244B12Ultrafast dynamics of fluorescent dyes embedded in aromatic micelles
(RIKEN1,Tokyo Tech2)*Matthew Sartin1,Kei Kondo2,Satoshi Takeuchi1,Michito Yoshizawa2,Tahei Tahara1
15:24-15:424B13Integral method analysis of electroabsorption spectra and its application
(Research Institute for Electronic Science, Hokkaido Univ.)*Nobuhiro Ohta,Kamlesh Awasthi
15:42-16:004B14In situ XRD measurements of Fe based nanoalloy under NH3 atmosphere
(WPI-I2CNER, Kyushu Univ.1,Graduate School of Engineering, Tohoku Univ.2,JST-CREST3)*Kazuya Ohkubo1,3,Miho Yamauchi1,3,Keita Isogai2,3,Satoshi Sugimoto2,3
16:00-16:184B15Preparation and catalytic property of metal nanoparticles embedded in a porous ZIF-8 framework
(WPI-I2CNER, Kyushu Univ.1,JST-CREST2,Faculty of Science, Kyushu Univ.3,Faculty of Engineering, Oita Univ.4,Elements Strategy Initiative for Catalysts and Batteries, Kyoto Univ.5,RIKEN RSC6)*Masaaki Sadakiyo1,2,Masaru Konno1,Shotaro Yoshimaru3,Katsutoshi Sato4,5,Katsutoshi Nagaoka2,4,Hidetaka Kasai2,6,Kenichi Kato2,6,Miho Yamauchi1,2,3
16:18-16:364B16Preparation and Structural Characterization of Highly Active FeCo Nanoalloy Catalysts in Fischer-Tropsch Reactions
(WPI-I2CNER, Kyushu Univ.1,2JST CREST2,3Fuculty of Engineering, Oita Univ.3,ESICB, Kyoto Univ.4,5Research Reactor Institute, Kyoto Univ.5,Quantum Beam Science Directorate, JAEA6)*Miho Yamauchi1,2,Masaru Kon-no1,Katsutoshi Sato3,4,Katsutoshi Nagaoka3,Masayuki Kurokuzu5,Ryo Masuda5,Shinji Kitao5,Makoto Seto5,Takaya Mitsui6
16:36-16:544B17Catalytic activity of precisely synthesized non-magic number clusters
(Chemical Resources Laboratory, Tokyo Institute of Technology1,International Christian University2)*Takane Imaoka1,Hirokazu Kitazawa1,Wang-jae Chun2,Kimihisa Yamamoto1

Venue C  [Biomolecules]

14:30-15:064C10[Young Scientist Award Talk]Molecular mechanisms of membrane proteins studied by infrared spectroscopy
(Inst. Mol. Sci.)*Yuji Furutani
15:06-15:244C12A new mechanism of signaling state formation of BLUF proteins from femtosecond transient absorption
(Molecular Spectroscopy Laboratory, RIKEN1,Ultrafast Spectroscopy Research Team, RIKEN Center for Advanced Photonics (RAP)2,Center for Biological Resources and Informatics, and Earth-Life Science Institute, Tokyo Institute of Technology3)*Tomotsumi Fujisawa1,Satoshi Takeuchi1,2,Shinji Masuda3,Tahei Tahara1,2
15:24-15:424C13Theoretical Studies on The Stability and Dynamics of Protein Complexes by Coarse-grained Simulations
(Graduate School of Natural Science and Technology, Kanazawa Univ.1,School of Life Sciences, Tokyo University of Pharmacy and Life Sciences2)*Micke Rusmerryani1,Masako Takasu2,Kazutomo Kawaguchi1,Hiroaki Saito1,Hidemi Nagao1
15:42-16:004C14Theoretical study on the effective interaction between particles in a water solvent
(Institute of Science and Engineering, Kanazawa Univ.)*Kazutomo Kawaguchi,Hiroaki Saito,Hidemi Nagao
16:00-16:184C15Chiroptical and theoretical analysis for thalidomide dimeric structure formation with solid and solution state circular dichroism spectroscopy
(Graduate School of Advanced Science and Engineering, Waseda Univ.1,AIST2,Graduate School of Engineering, Nagoya Institute of Technology3)*Yoshiyuki Ogino1,Hiroki Toriyama1,Masahito Tanaka2,Norio Shibata3,Toru Asahi1
16:18-16:364C16Development of molecular docking method with flexible ligand model
(Institute of Science and Engineering, Kanazawa Univ.)*Hiroaki Saito,Kazutomo Kawaguchi,Hidemi Nagao

Venue D  [Solid phase]

14:30-14:484D10Photoexcitation dynamics investigated by time-resolved electrical conductivity measurement in the magnetic organic conductor λ-(BETS)2FeCl4
(Muroran Tech.1,RIES, Hokkaido Univ.2)*Toshifumi Iimori1,Kaname Oinuma2,Nobuhiro Ohta2
14:48-15:064D11DFT calculation of structural change and ionic conduction in ZrO2 systems under epitaxial strain
(Graduate School of Science, The University of Tokyo1,JST-CREST2,KAST3)*Mayuko Oka1,Hideyuki Kamisaka1,2,Tomoteru Fukumura1,2,Tetsuya Hasegawa1,2,3
15:06-15:244D12Geometrical frustration induced by lattice dimerization
(Department of Nanomaterials Science, Chiba University1,Department of Chemistry, Nagoya University2,RCMS, Nagoya University3,JST-CREST4)*Rie Suizu1,4,Akito Iwasaki2,Yoshiaki Shuku2,Kunio Awaga3,4
15:24-15:424D13Molecular adsorption and luminescence properties of chiral porous coordination polymers
(Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2)*Junya Okamoto1,Naoki Muramatsu1,Yoshiyuki Kageyama2,Goro Maruta2,Sadamu Takeda2
15:42-16:004D14Structural characteristics of vapor-deposited molecular glasses: Relation to the properties of the compounds forming dense glasses
(Department of Chemistry, Gakushuin Univ.)*Hideyuki Nakayama,Kyohei Fukasawa,Takumi Honda,Kikujiro Ishii
16:00-16:184D15Hydration Structure of Strongly Bound Water in a Nafion Membrane Studied by Infrared Spectroscopy and Quantum Chemical Calculation
(Institute for Chemical Research, Kyoto University)*Takafumi Shimoaka,Chihiro Wakai,Takeshi Hasegawa
16:18-16:364D16UV Photochemistry of 1,4-cyclohexadiene in Solid Para-hydrogen
(Institute of Engineering, Tokyo Univ. Agriculture and Technology1,Department of Chemistry, The University of British Columbia2)*Jun Miyazaki1,2,Shin yi Toh2,Pavle Djuricanin2,Takamasa Momose2
16:36-16:544D17Cooperative effect on double hydrogen-bonded networks in model 4-amino-6-oxopyrimidine clusters and crystals
(Faculty of Sciences, Kyushu Univ.1,Chiba Inst. Tech.2,IMCE, Kyushu Univ.3,Graduate School of BASE, Univ. of Agr. and Tech.4)Kazuko Ohyama1,Norifumi Yamamoto2,Kenta Goto3,Teruo Shinmyozu3,Munetaka Nakata4,*Hiroshi Sekiya1

Venue E  [Theory/Calculation]

14:30-14:484E10Multi-wall effects on the thermal transport properties of nanotube structures
(Graduate School of Engineering, Univ. Tokyo)*Tomoyuki Hata,Hiroki Kawai,Ryota Jono,Koichi Yamashita
14:48-15:064E11Simulation of the dynamics of nanocarbon bearings: Rotation of a fullerene in a finite nanotube
(Graduate School of Science, Tohoku Univ.1,Graduate School of Systems Engineering, Wakayama Univ.2,Faculty of Systems Engineering, Wakayama Univ.3,Institute for Quantum Chemical Exploration4,Institute for Quantum Chemical Exploration5)*Kosuke Nakamura1,Hiroyuki Isobe1,Sota Sato1,Shunpei Hitosugi1,Hiroaki Tokoyama2,4,Hideo Yamakado3,Koichi Ohno1,5,Hirohiko Kono1
15:06-15:244E12Charge separation process at interface of polythiophene/carbonnanotube
(Gruaduate School of Engneering, Univ. of Tokyo)*Katsuhiko Nishimra,Mikiya Fujii,Koichi Yamashita
15:24-15:424E13[Canceled]A study on the convergence of the large-scale DFT calculation by FMO method
(Graduate School of Engineering, Kitakyu Univ.)*Takashi Ai,Atushi Nogami
15:42-16:004E14Development of the computer programs for molecular integrals over the non-integer n Slater-type orbitals
(no affiliation)*Kazuhiro Ishida
16:00-16:184E15Theoretical study on dielectric-dependent Hartree-Fock and Slater exchange potential
(RIKEN-AICS)*Tomomi Shimazaki,Takahito Nakajima
16:18-16:364E16Theoretical investigation of the intra-cluster hydrogen bond in hydrogen sulfide cluster ion with nuclear quantum effect
(Graduate School of Nanobioscience, Yokohama City Univ.1,The Univ. of Tokyo2)*Yudai Ogata1,Tsutomu Kawatsu1,2,Masanori Tachikawa1
16:36-16:544E17Calculations of enthalpies of formation of transition-metal complexes by highly accurate relativistic quantum-chemical method
(School of Advanced Science and Engineering, Waseda University1,Research Institute for Science and Engineering, Waseda University2,JST-CREST3,ESICB, Kyoto4)*Junji Seino1,Yuya Nakajima1,Hiromi Nakai1,2,3,4