ダイ14カイ 2001ネン 理化学研究所リカガクケンキュウショ鈴木スズキ梅太郎ウメタロウホール(早稲田大学ワセダダイガク
ページ 氏名シメイ 所属ショゾク 講演題目コウエンダイモク 早藤ハヤフジINDEX 普通フツウのINDEX
物質ブッシツ ソウ 実験ジッケン
I-21 関根セキネ理香リカ Shizuoka Univ. Density functional study on Zn metal clusters A-1 α G I
I-24 エイキュウ三四郎サンシロウ Keio Univ. Study on the band structure and impurity levels of ZnS:Mn phosphor C-2 α S IV
I-28 伊藤イトウ伸一シンイチ Kyoto Univ. of Edu. Relativistic cluster calculation for rare earth doped GaAs C-2 α S I
I-33 中津川ナカツガワヒロシ Yokohama Nat. Univ. Electronic structure of Sr1-xLaxRuO3 C-2 α S IV
I-35 福島フクシマコウオヤ Toshiba Co., IEC Electronic structure calculations for antiferromagentic and thermoelectric properties C-2 α S IV
I-40 高井タカイ健一ケンイチ Kwansei Gakuin Univ. Crystal structure  of refractry metal  silicides for ULSI applications C-3 α S III
I-45 湯川宏ユカワヒロシ Nagoya Univ. Local electronic structures of hydrogen and phase stability of vanadium hydride, V2H C-3 α S II
I-50 平田ヒラタマサル JAERI Electronic structure of Am and Eu with N donor ligands B-1 α L II
I-52 高原タカハラワタル Osaka Univ. Electronic structure and superconducting transition temperature of Laves phase V2Zr compounds B-3 α S IV
I-58 小野オノ慎司シンジ Niigata Univ. Studies on origin of superionicity using band calculation and DV-Xα method  C-3 α S IV
I-61 桑原クワハラ彰秀アキヒデ Univ. of Tokyo Local bonding state and ionic conductivity in FSZ C-3 α S IV
I-66 佐々木ササキショウホウ Kyusyu Inst. of Tech. In2O3 based diluted magnetic semiconductor C-2 α S IV
I-70 吉野ヨシノ正人マサヒト Nagoya Univ. Protonic conductivity change with local electronic state around acceptor ions in perovskite-type oxide, SrZrO3 C-3 α S IV
I-74 宮前ミヤマエトオル Kyoto Univ. Relativistic MO calculations with spin polarization on lanthanoid, actinoid compounds A-1 α L II
I-78 シンウソク AIST Electronic structure of SrPbO3 B-3 α S IV
I-80 飯高イイタカ敏晃トシアキ RIKEN Order-N calculation of linear-response functions A-0 - - -
I-84 向山ムコヤマタケシ Kansai Gaidai Univ. Analytical wave functions for atoms by fitting numerical results with genetic algorithm A-0 - - -
I-89 高橋タカハシ靖彦ヤスヒコ AIST Structure and electron density study of the orthorhombic LiMnO2 by X-ray structure analysis and first principle calculation B-1 α S IV
I-94 Dong Yoon  Lee Korea Electrotechnology Res. Inst. Electronic Structure of IV-VI Compound Having Halite Structure, Calculated by DV- Xα Method B-2 α S IV
I-99 酒井サカイ義之ヨシユキ Ashiya Univ. First-principles analysis of tunneling spectra for point defects on TiO2 (110) surface C-2 α S I
I-104 大浜オオハマ康彦ヤスヒコ Kwansei Gakuin Univ. The electronic structures of defects in silicon clusters (1) C-2 α S IV
I-109 江刺エサシノボル Kwansei Gakuin Univ. The electronic structures of defects in silicon clusters (2) C-3 α S IV
I-114 Henry P. Pinto Nagoya Univ. Theoretical study of oxygen-vacancy defects in ferroelectric BaTiO3 C-2 α S IV
I-118 横田ヨコタシュウ Univ. of Tokyo Electronic structures of grain boundaries and high temperature deformation properties in oxide-doped 3Y-TZP C-3 α S III
I-122 杉原スギハラJuン Shonan Inst. of Tech. Wetting property analysis of electrode metal and oxide ceramic at their interfaces using DV-Xα C-3 α S II
I-126 田中タナカ久美子クミコ Shizuoka Univ. Electronic study of ionic surface C-1 α S II
I-129 モリワキ分博フンヒロキ Matsushita Elec. Components Co., Ltd. First principles calculations of formation energy of Cr vacancy in MgCr2O4 spinel C-2 α S IV
I-133 F. Pichierri RIKEN DFT-GGA Calculation of C2H on Pd (110) surface C-2 γ S II
II-145 YangSoo  Kim AIST Li+ extraction with LiTm0.5Mn1.5O4 spinel in the aqueous phase (Tm = 3d transition metal) C-3 α S II
II-150 Takamasa  Isobe Shonan Inst. of Tech. Theoretical study on wetting properties of TiO2 substrate with electrode metals C-3 α S II
II-155 Yoko  Uchida Hitachi, Co.,Ltd. The density of states of Cu with stacking faults C-1 α S IV
II-158 Masafumi  Matsui Kyoto Univ. First principles calculation of charge compensative mechanism in oxides C-2 α S IV
II-163 Toshiki Hara RIKEN Density-functional study on C60 photopolymerization A-2 β G II
II-168 Yi Liu Nagoya Univ. Electronic state of lithium in carbonaceous materials C-3 β S II
II-173 Tomohiko  Ishii Tokyo Metro. Univ. Electronic structure and magnetic properties of metal porphyrins B-2 β S IV
II-178 Terumi Takeda Ryukoku Univ. Studies on molecular orbital calculations by the DV-Xα method and X-Ray photoelectron spectra of nickel(II) complexes. A-2 α S I
II-183 Yoshiyuki  Nakajima Rikenkeiki Co.,Ltd. Near edge structure of porphyrin-complexes measured by PESA A-2 β S I
II-186 Takashi  Segi Osaka Univ. Isomer shift and quadrupole splitting of iron bis(N,N-dithiocarbamate)X complex  (X = NO, Cl, Br, I) A-2 α S IV
II-191 Hisao  Yamashige Fukuoka Univ. The electron structure of Fe, CoTPP complexes using the DV-Xα calculation A-2 β S I
II-195 Yuki  Iwata Osaka Elec.-Commun. Univ. Studies of the electronic structure of lithium compounds by means of XPS and DV-Xα method B-2 α S I
II-200 Moriyasu  Nonaka Kyushu Univ. Electronic structure of Mn-doped ZnGa2O4 using cluster calculation C-2 α S I
II-203 Junichi  Tsuji Osaka Elec.-Commun. Univ. Studies of the Li-K XANES spectra of various lithium compounds B-2 α S I
II-208 Youichi  Fukuda Kyoto Univ. Analysis of Ni-L2,3 XANES in NiO by the first principles calculation B-2 α S I
II-213 Shuji  Matsuo Fukuoka Univ. Al K-edge XANES spectral analyses of aqueous aluminum salt solutions by the DV-Xα calculation B-2 α S I
II-218 Daisuke  Yamashita Waseda Univ. L X-ray spectra emitted from 3d transition elements B-2 α S I
II-223 Masaki  Fujita Shizuoka Univ. Assignment of Ti K-edge XANES spectra of SrTiO3 B-2 α S I
II-228 Koji  Fujimura Kyoto Univ. Relativistic multiplet calculations of absorption spectra for rare-earth-based solid-state laser materials B-2 α S I
II-232 Kentaro  Kuramoto Himeji Inst. of Tech. Soft X-ray emission and absorption spectra in the O K reagion of aromatic compounds substituted with oxygenated functional groups C-2 α S I
II-238 Mitsutoshi  Yokomizo Fukuoka Univ. DV-Xα XANES analysis for a Ni liquid metal complex A-2 α S I
II-242 Masahiro  Kunisu Kyoto Univ. ELNES/XANES of ZnO and AlN polytypes B-2 α S I
II-245 Yoichi Fukuda Kyoto Univ. Interpretation of the profile changes in fluorine K edge X-ray absorption spectra B-2 α S I
II-247 Akio  Shigemi Kyoto Univ. The dependence on geometry effect of Ni 2p XPS spectra A-2 α S I
AQC Don E. Ellis Northwestern Univ. Trying to uncover structure <=> functional relationships in complex systems B-12 αβ S II,III
----- Taketo  Sakuma Univ. of Tokyo Localized quantum structure at ceramics grain boundary C-3 α S III
----- Kazuyoshi  Ogasawara Kyoto Univ. Relativistic discrete variational multi-electron (DV-ME) method B-2 α S I
----- Takeshi  Mukoyama Kansai Gaikokugo Univ. A new approach to electron transition during inner-shell ionization A-0 - - I
----- Laszlo  Kover ATOMKI, Hungary Interpreting Auger spectra in cluster approximation A-0 - - I
----- Yasuji  Muramatsu JAERI Theoretically predicted soft X-ray emission spectra of graphitic-structured BC2N C-2 α S I
----- E. Joseph  Nordgren Uppsala Univ. Soft X-ray fluorescence and inelastic scattering studies of molecules and solids AB-2 - SG I
----- Mojmir  Sob Inst. of Phys. of Mater., Acad. of Sci. of the Czech Republic Theoretical calculations of positron annihilation characteristics in inorganic solids recent advances and problems C-1 α S
----- Masataka  Mizuno Osaka Univ. Theoretical calculation of positron lifetimes for defects in solids B-1 α S
----- Matti K. Alatalo Helsinki Univ. of Tech. Recent advances in the calculations for momentum distributions of annihilating electron-positron pairs in solids C-1 α S
----- Yukinori  Koyama Kyoto Univ. Factors determining intercalation voltages of lithium transition-metals oxides B-1 α S
----- Hyunju  Chang Korea Res. Inst. of Chem. Tech. Electronic structure of chromium aluminum oxynitride C-2 α S
----- Fumiyasu  Oba Univ. of Tokyo Geometric and electronic structure of grain boundaries in ZnO C-1 α S III
----- Tokuro  Nanba Okayama Univ. XPS and DV-Xα studies on the electronic structure of silicate glasses C-2 α S
----- Yoshiyuki  Kowada Hyogo Univ. of Teacher Edu. Electronic state of super-ionic conductors C-3 α S IV
----- Naoki  Ohashi Adv. Mater. Lab., Nat. Inst. for Mater. Res. Quantum chemical approach to interfaces and surfaces of ceramics C-2 α S IV,I
----- Martin  Head-Gordon U. C. Berkeley Fast methods for density functional theory calculation A-0 - - -
----- Takugo  Ishii Kyoto Univ. Many-electron calculation for the analysis of the optical absorption spectra on impurity-metal center B-2 α S
----- Pablo  Ordejon Inst. de Ciencia de Barcelona First principles DFT calculations of electronic transport in molecular and nano-scale devices B-3 α S IV
----- Agnes  Nagy Debrecen Univ. Excited states in the density functional theory A-0 - - -
----- Tomoyuki  Yamamoto RIKEN First principles calculations of lower-mantle minerals at high pressure C-2 α S III
----- Erkki J. Brandas Uppsala Univ., the editor of the Adv. Quantum Chem. Prorate spheroidal wavefunctions for signal processing A-0 - - -
ダイ14カイ国際コクサイワークショップの報告書ホウコクショのうち「AQC」と記載キサイされているものにカンしては、
会報ではなく、Advances Quantum Chemistryから出版されるProceedingsに掲載されます。


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更新日 02.10.10
名前 Yoshiyuki Kowada