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IMAMURA Akira  今村 詮

ORCIDConnect your ORCID iD *help
Researcher Number 70076991
Other IDs
Affiliation (based on the past Project Information) *help 2015: 広島大学, 名誉教授
2011: 広島大学, 名誉教授
2010: 広島国際学院大学, 工学部, 教授
2002 – 2006: 広島国際学院大学, 工学部, 教授
2005: Hiroshima Kokusaigakuin University, President, 学長
1987 – 1997: 広島大学, 理学部, 教授
1986: 広島大, 理学部, 教授
Review Section/Research Field
Principal Investigator
工業物理化学・複合材料 / 構造化学 / 機能・物性・材料 / Physical chemistry / 物理化学一般
Except Principal Investigator
Physical chemistry / 広領域 / Biophysics / 構造化学 / Physical chemistry / 物理化学一般
Keywords
Principal Investigator
MOPAC / ポリアセチレン / 分子軌道法 / Through Space / 局所状態密度 / Elongation法 / 周期性高分子 / Molecular Orbital Method / 分子設計 / 理論的重合法 … More / 高分子 / エネルギー勾配法 / 構造最適化 / S-SCF法 / 非周期性高分子 / 電子状態 / Aperiodic Polymer / 非周期性 / ポリエチレン / ソリトン / Elongation Method / Through Bond / 拡張ヒュッケル法 / ド-パント / 強い結合の近似 / パイエルス不安定性 / HOMOエネルギ-帯 / LUMOエネルギ-帯 / 温度センサ- / スイッチング素子 / Band相互作用 / プロペラン / プロトン移動 / 分極による電子遮蔽効果 / 多環芳香族炭化水素 / 極限的反応座標 / ポリシラン / 配座発生法 / Bond 相互作用 / 高電子供子性 / 受容性分子の設計 / 立体配座解析 / 溶媒効果を含むハミルトニアン / 縮合多環芳香族炭化水素のπ電子系 / 周辺構造依存性 / 反応座標理論 / 媒質効果のストリングモデル / 分子力学法 / 分子動力学法 / 反応制御 / 隣接結合間相互作用 / 分子素子 / 高分子の電子状態 / 結晶軌道 / スーパーセル / 結晶成長制御 / 水素分子 / 高分子鎖間水素結合 / S・SCF法 / キトサン / 分子認識 / 結晶環境 / 分子構造最適化 / CO_2結晶 / 振動解析 / Pa3相 / Cmca相 / Hessian行列 / 導電性高分子 / ポリフルオロアセチレン / ポリヒドロキシアセチレン / Bond相互作用 / エネルギー帯間隔 / 結晶軌道の位相 / クラスター / 結晶中の分子物性 / 圧電性 / 電子のホッピング / Elongation / MNDO / AM1 / PM3 / ポリペプチド系 / タンパク質モデル分子 / frozen軌道 / active軌道 / 周期的性質 / 非周期的性質 / エネルギー帯構造 / 分子軌道 / エネルギ-勾配法 / 双極子能率 / 分子構造変化 / アタックティックポリプロピレン / Cluster / S-SCF method / Physical properties of molecule in the crystal / Piezoelectricity / Elongation method / Local density of states / Hopping of electrons / 密度汎関数法 / 結晶表面の吸着 / 生体高分子 / ポリペプチド / 水素結合系 / Gaussian70 / 局在化軌道 / ユニタリー変換 / ab initio法 / Mulliken近似 / Density Functional Method / Theoretical Polymerization Method / Periodic Polymer / Biopolymers / MOPAC (Program Package) / Adsorption on Crystal Surface / 理論的に重合 / 理論的制御 / 有限基底軌道近似 / 重合反応 / 触媒反応 / 結晶成長 / 反応性 / ポリグリシン / Theoretical Synthesis / Energy Gradient Method / Theoretical Control / Geometry Optimization / Approximation of Finite AOs / タンパク質 / 電子移動反応 / 階層構造 / Ab initio法 / 共有結合系高分子 / 電子移動経路 / Gaussianプログラム / オリゴペプチド / Proteins / Electron Transfer / Stratified Structure / Local Density of States / 繰り込み摂動法 / Ab Initio法 / ポリアセチレンーソリトン系 / ポリアセチレンードーパント系 / ポリアセチレン鎖間相互作用系 / 摂動項の変分的解法 / 大行列式の小行列式分割 / スーパーセルの方法 / ドーパント / ハートリ・フォック法 / 電導性 / 高分子鎖間相互作用 / Interative Transfer Perturbation Method / Polyacetylene Extended Huckel Method / 遷移状態 / 反応経路 / Ab-initio法 / Through Space@Bond相互作用 / 軌道対称性 / Electronic State / Transition State / Reaction Coordinate / Ab-initio Method / Extended Huckel Method / Bond Interaction / Orbital Symmetry … More
Except Principal Investigator
分子設計理論 / 分子認識場 / 不安定分子種 / ヘテロ原子 / タンパク質 / 分子の動的性質 / 電子授受 / Elongation法 / 電子状態 / 分子設計 / Elonation法 / 溶媒効果 / 導電性 / DNA / 塩基配列 / 局所状態密度 / 量子化学 / 分子軌道法 / ポテンシャル面 / 高分子 / 素反応過程 / 化学反応性理論 / 構造最適化 / 電子援受 / 電子移動 / 第3ステージ / 電子因子 / 核因子 / 多成分電子移動系 / 生体電子移動系 / 界面 / Throuh-sace / bond法 / 電子移動反応 / 非経験的MO法 / Through-space / Through Space / Bond法 / 生体高分子 / 塩基配 / プロトンポンプ / 励起状態 / 大規模生体高分子 / 電子状態動力学法 / 局所構造最適化 / 局所電子相関効果 / 局所振動解析 / 動的性質 / 化学反応理論 / 遷移状態構造 / 反応動力学 / 遷移金属化合物 / 非経験的分子軌道法 / 触媒作用 / 電子構造論 / 軌道相互作用 / 遷移金属錯体 / ファンデルワ-ルス錯体 / イオンチャネル / 電子構造理論 / 反応設計 / 反応の遷移状態 / 軌道相互作用理論 / 遷移金属錯体触媒 / 励起分子の電子構造 / Theory of Reactions / MO Theory / Potential Surfaces / Transition Structures / Reaction Dynamics / Solvent Effect / Transition Metal Complexes / Polymers / バイオマシン / 分光学 / MO計算 / ダイナミックス / 量子生物学 / 生体分子分光学 / 時間分解分光学 / Biomachine / Proteins / Spectroscopy / MO calculation / Protein dynamics / 固体表面吸着反応 / 密度汎関数法 / 金属クラスター / 水クラスター / 分子動力学 / 高分子成長反応 / グラファイト / 生体関連分子 / 固体触媒 / 遷移金属クラスター / モンテカルロシミュレーション / 非周期性高分子 / Adsoption reaction on solid surface / Density functional theory / Metal cluster / Water cluster / Molecular dynamics / Growth reaction of polymer / Graphite / Bio-related molecules / 時間依存Hartree-Fock法 / オーダーN / 有限軌道基底 / 非線形光学特性 / オーダーN法 / エネルギー勾配法 / 階層的合成法 / MOPAC / ポリエチレン / ポリシラン / 局在化分子軌道 / 構造転移 / Elongation method / parallel synthesis / Peptides / collagen triple helix / electronic states / Order-N method / total energy / quantum chemistry / 電子理論と計算 / 反応制御と設計の理論 / 励起状態動力学 / 化学反応経路 / 金属錯体と触媒反応 / Electronic structure theory / Ab initio calculation / Elementary chemical reaction / Electronically excited state / Chemical reaction path / Potential energy surface / Transition metal complex / Catalytic reaction / 生体分子素子 / ヘム蛋白質 / 光合成蛋白質 / フラビン酵素 / 分子軌道計算 / 分子動力学計算 / フラッシュ分光法 / 共鳴ラマン分光法 / SCF計算 / クロロフィル / フラビン / フラッシュ分光 / 共鳴ラマン分光 / 分子力場計算 / Biomolecular element / Hemoprotein / Photosynthesis protein / Flavin enzyme / Molecular orbital calculation / Molecular dynamics calculation / Flash spectroscopy / Resonance Raman spectroscopy / 電子相関 / ミスマッチ / バンド構造 / Elongation法 / DNA Less
  • Research Projects

    (30 results)
  • Research Products

    (35 results)
  • Co-Researchers

    (71 People)
  •  Quantum chemistry method with electron correlation effect for the analysis of the cooperative molecular recognition process in DNA

    • Principal Investigator
      Aoki Yuriko
    • Project Period (FY)
      2011 – 2015
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical chemistry
    • Research Institution
      Kyushu University
  •  Highly accurate electronic states dynamics for mechanism analysis of electron and proton transfers in proteins

    • Principal Investigator
      AOKI Yuriko
    • Project Period (FY)
      2009 – 2011
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      Physical chemistry
    • Research Institution
      Kyushu University
  •  Study on theoretical chemistry to the relationship between DNA sequence and electronic conductivity.

    • Principal Investigator
      AOKI Yuriko
    • Project Period (FY)
      2007 – 2010
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Kyushu University
  •  溶液中タンパク質におけるtrough-bond電子移動経路の定量的評価方法の構築

    • Principal Investigator
      青木 百合子
    • Project Period (FY)
      2004 – 2006
    • Research Category
      Grant-in-Aid for Exploratory Research
    • Research Field
      Physical chemistry
    • Research Institution
      Kyushu University
  •  Parallel synthesis method of the electronic structures for proteins/nucleic acids and the development of the analytic system of their structures and functions

    • Principal Investigator
      AOKI Yuriko
    • Project Period (FY)
      2002 – 2005
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      KYUSHU UNIVERSITY
      Hiroshima University
  •  結晶環境下の分子構造最適化法による分子認識機構の解明と結晶内反応経路への応用Principal Investigator

    • Principal Investigator
      今村 詮
    • Project Period (FY)
      1996
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hiroshima University
  •  Theoretical work on chemical reactions of molecular aggregates

    • Principal Investigator
      HOSOYA Haruo
    • Project Period (FY)
      1996
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Ochanomizu University
  •  A Study on the Reaction Mechanism of Through Bond Electron Transfer in Proteins by the Elongation MethodPrincipal Investigator

    • Principal Investigator
      IMAMURA Akira
    • Project Period (FY)
      1996 – 1997
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      HIROSHIMA UNIVERSITY
  •  結晶環境下の分子構造最適化法による分子認識機構の解明と結晶内反応経路への応用Principal Investigator

    • Principal Investigator
      今村 詮
    • Project Period (FY)
      1995
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hiroshima University
  •  Development of Elongation Program for the Theoretical Control of Polymerization Reaction-Catalytic Reaction-Crystal GrowthPrincipal Investigator

    • Principal Investigator
      IMAMURA Akira
    • Project Period (FY)
      1995 – 1997
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      機能・物性・材料
    • Research Institution
      HIROSHIMA UNIVERSITY
  •  電子移動反応の分子場制御

    • Principal Investigator
      KAKITANI Toshiaki
    • Project Period (FY)
      1994
    • Research Category
      Grant-in-Aid for Co-operative Research (B)
    • Research Field
      Biophysics
    • Research Institution
      Nagoya University
  •  Elongation法による結晶成長過程の理論的制御Principal Investigator

    • Principal Investigator
      今村 詮
    • Project Period (FY)
      1992
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hiroshima University
  •  A study on the electronic structure of aperiodic polymers by theoretical polymerization methodPrincipal Investigator

    • Principal Investigator
      IMAMURA Akira
    • Project Period (FY)
      1992 – 1994
    • Research Category
      Grant-in-Aid for General Scientific Research (B)
    • Research Field
      構造化学
    • Research Institution
      HIROSIMA UNIVERSITY
  •  分子設計理論Principal Investigator

    • Principal Investigator
      今村 詮
    • Project Period (FY)
      1991
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hiroshima University
  •  Programming for the prediction of physico-chemical properties of polymerPrincipal Investigator

    • Principal Investigator
      IMAMURA Akira
    • Project Period (FY)
      1991 – 1993
    • Research Category
      Grant-in-Aid for Developmental Scientific Research (B)
    • Research Field
      工業物理化学・複合材料
    • Research Institution
      HIROSHIMA UNIVERSITY
  •  分子設計理論Principal Investigator

    • Principal Investigator
      今村 詮
    • Project Period (FY)
      1990
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hiroshima University
  •  Molecular Theory of Electronic Structure Design and Control of Reactions and Its Application

    • Principal Investigator
      FUJIMOTO Hiroshi
    • Project Period (FY)
      1990 – 1992
    • Research Category
      Grant-in-Aid for Co-operative Research (A)
    • Research Field
      構造化学
    • Research Institution
      KYOTO UNIVERSITY
  •  Quantum Theory and Spectroscopy of Proteins as Biomachines

    • Principal Investigator
      KITAGAWA Teizo
    • Project Period (FY)
      1990 – 1991
    • Research Category
      Grant-in-Aid for Co-operative Research (A)
    • Research Field
      広領域
    • Research Institution
      Okazaki National Research Institutes, Institute for Molecular Science
  •  Through Space/Bond相互作用解析による機能性高分子のメカニズム解析Principal Investigator

    • Principal Investigator
      今村 詮
    • Project Period (FY)
      1989
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hiroshima University
  •  分子設計の基礎と展開

    • Principal Investigator
      村田 一郎
    • Project Period (FY)
      1989 – 1991
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Osaka University
  •  分子設計理論Principal Investigator

    • Principal Investigator
      今村 詮
    • Project Period (FY)
      1989
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hiroshima University
  •  分子設計の基礎と展開

    • Principal Investigator
      村田 一郎
    • Project Period (FY)
      1989 – 1991
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Osaka University
  •  分子設計の基礎と展開

    • Principal Investigator
      村田 一郎
    • Project Period (FY)
      1989 – 1991
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Osaka University
  •  分子設計の基礎と展開

    • Principal Investigator
      村田 一郎
    • Project Period (FY)
      1989 – 1992
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Osaka University
  •  分子設計の基礎と展開に関する総合研究

    • Principal Investigator
      村田 一郎
    • Project Period (FY)
      1988
    • Research Category
      Grant-in-Aid for Co-operative Research (B)
    • Research Institution
      Osaka University
  •  Through Space/Bond相互作用解析による機能性高分子のメカニズム解析Principal Investigator

    • Principal Investigator
      今村 詮
    • Project Period (FY)
      1988
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hiroshima University
  •  Theoretical and Experimental Study on Electronic States and Reactivity of MoleculesPrincipal Investigator

    • Principal Investigator
      IMAMURA Akira
    • Project Period (FY)
      1988 – 1989
    • Research Category
      Grant-in-Aid for Overseas Scientific Survey.
    • Research Institution
      Hiroshima University
  •  Investigations on electronic processes of biomolecular elements by Computational Chemistry

    • Principal Investigator
      KASHIWAGI Hiroshi
    • Project Period (FY)
      1988 – 1989
    • Research Category
      Grant-in-Aid for Co-operative Research (A)
    • Research Field
      広領域
    • Research Institution
      Kyushu Institute of Technology
      Okazaki National Research Institutes
  •  Fundamental Research for Control and Design of Chemical Reaction based on Electronic Structure Theory and Calculation

    • Principal Investigator
      MOROKUMA Keiji
    • Project Period (FY)
      1987 – 1989
    • Research Category
      Grant-in-Aid for Co-operative Research (A)
    • Research Field
      物理化学一般
    • Research Institution
      Okazaki National Research Institutes
  •  Formulation of Perturbation Theory for High-conductive Polymers and Biopolymers and its Application to Molecular Design of PolymerPrincipal Investigator

    • Principal Investigator
      IMAMURA Akira
    • Project Period (FY)
      1986 – 1988
    • Research Category
      Grant-in-Aid for General Scientific Research (B)
    • Research Field
      物理化学一般
    • Research Institution
      HIROSHIMA UNIVERSITY

All 2015 2014 2013 2011 2010 2007 2006 2005 2004

All Journal Article Presentation Book

  • [Book] 「高分子ナノテクノロジーハンドブック~最新ポリマーABC技術を中心として~」第5編第2章2014

    • Author(s)
      青木百合子, 今村詮
    • Publisher
      株式会社エヌ・ティー・エス
    • Data Source
      KAKENHI-PROJECT-23245005
  • [Book] Elongation Method for Polymers and its Application to Nonlinear Optics, in Atoms, Molecules and Clusters in Electric Fields : Theoretical Approaches to the Calculation of Electric Polarizabilities, edited by G. Maroulis, Vol. 12006

    • Author(s)
      F.L.Gu, A.Imamura, Y.Aoki
    • Total Pages
      81
    • Publisher
      Imperial College Press
    • Data Source
      KAKENHI-PROJECT-16655009
  • [Journal Article] Ab initio O(N) elongation-counterpoise method for BSSE-corrected interaction energy analyses in biosystems2015

    • Author(s)
      Yuuichi Orimoto, Ryohei Yamamoto, Peng Xie, Kai Liu, Akira Imamura, and Yuriko Aoki
    • Journal Title

      J. Chem. Phys.

      Volume: 142 Pages: 104111-104111

    • DOI

      10.1063/1.4913931

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-25810103, KAKENHI-PROJECT-23245005
  • [Journal Article] Electronic structures and molecular structures of polyynes2013

    • Author(s)
      A. Imamura and Y. Aoki
    • Journal Title

      Int. J. Quantum Chem.

      Volume: 113(4) Pages: 423-427

    • DOI

      10.1002/qua.24244

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23245005
  • [Journal Article] Helical molecular orbitals around straight-chain polyyne oligomers as models for molecular devices2013

    • Author(s)
      A. Imamura, and Y. Aoki
    • Journal Title

      Chem. Phys. Lett.

      Volume: 590 Pages: 136-140

    • DOI

      10.1016/j.cplett.2013.10.064

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23245005
  • [Journal Article] Application of the elongation method to the electronic structure of spin-polarized molecular wire under electric field2010

    • Author(s)
      Y. Orimoto, F. L. Gu, J. Korchowiec, A. Imamura, and Y. Aoki
    • Journal Title

      Theor. Chem. Acc

      Volume: 125(3-6) Pages: 493-501

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21655007
  • [Journal Article] Electronic structures and nonlinear optical properties of supramolecular associations of benzo-2,1,3-chalcogendiazoles by the elongation method2010

    • Author(s)
      A.Pomogaeva, F.L.Gu, A.Imamura, Y.Aoki
    • Journal Title

      Theor.Chem.Acc. 125(3-6)

      Pages: 453-460

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350012
  • [Journal Article] Application of the elongation method to the electronic structure of spin-polarized molecular wire under electric field2010

    • Author(s)
      Y.Orimoto, F.L.Gu, J.Korchowiec, A.Imamura, Y.Aoki
    • Journal Title

      Theor.Chem.Acc. 125(3-6)

      Pages: 493-501

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350012
  • [Journal Article] Electronic structures and nonlinear optical properties of supramolecular associations of benzo-2, 12010

    • Author(s)
      A. Pomogaeva, F. L. Gu, A. Imamura, and Y. Aoki
    • Journal Title

      3-chalcogendiazoles by the elongation method, Theor. Chem. Acc

      Volume: 125(3-6) Pages: 453-460

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21655007
  • [Journal Article] Electronic structures and nonlinear optical properties of supramolecular associations of benzo-2, 1, 3-chalcogendiazoles by the elongation method2010

    • Author(s)
      A.Pomogaeva, F.L.Gu, A.Imamura, Y.Aoki
    • Journal Title

      Theor. Chem. Acc. 125(3-6)

      Pages: 453-460

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350012
  • [Journal Article] Application of the elongation method to the electronic structure of spin-polarized molecular wire under electric field2010

    • Author(s)
      Y.Orimoto, F.L.Gu, J.Korchowiec, A.Imamura, Y.Aoki
    • Journal Title

      Theor. Chem. Acc. 125(3-6)

      Pages: 493-501

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350012
  • [Journal Article] Efficient and accurate calculations on the electronic structure of B-type poly(dG)-poly(dC)DNA by elongation method:First step toward the understanding of the biological properties of aperiodic DNA2007

    • Author(s)
      Y. Orimoto, F. L. Gu, A. Imamura, Y. Aoki
    • Journal Title

      J.Chem.Phys 126

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350012
  • [Journal Article] Efficient and accurate calculations on the electronic structure of B-type poly(dG)-poly(dC) DNA by elongation method : First step toward the understanding of the biological properties of aperiodic DNA2007

    • Author(s)
      Y. Orimoto, F. L. Gu, A. Imamura, Y. Aoki
    • Journal Title

      J.Chem.Phys. 126(21)

    • Data Source
      KAKENHI-PROJECT-19350012
  • [Journal Article] Efficient and accurate calculations on the electronic structure of B-type poly (dG)-poly (dC) DNA by elongation method : First step toward the understanding of the biological properties of aperiodic DNA2007

    • Author(s)
      Y.Orimoto, F.L.Gu, A.Imamura, Y.Aoki
    • Journal Title

      J.Chem.Phys. 126(21)

      Pages: 2151041-2151047

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350012
  • [Journal Article] Elongation Method Applied to Aperiodic Systems - Random Polypeptides, High Spin Alignment, Polymer in Solvent, and DNA, Computational Methods in Science and Engineering : Theory and Computation : Old Problems and New Challenge2007

    • Author(s)
      Y.Aoki, F.L.Gu, Y.Orimoto, S.Suhai, A.Imamura
    • Journal Title

      Lectures Presented at the ICCMSE 2007 963(1)

      Pages: 120-137

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350012
  • [Journal Article] Elongation Method Applied to Aperiodic Systems-Random Polypeptides, High Spin Alignment, Polymer in Solvent, and DNA2007

    • Author(s)
      Y. Aoki, F. L. Gu, Y. Orimoto, S. Suhai, A. Imamura
    • Journal Title

      Computational Methods in Science and Engineering : Theory and Computation : Old Problems and New Challenge, Lectures Presented at the ICCMSE 2007 963(1)

      Pages: 120-137

    • Data Source
      KAKENHI-PROJECT-19350012
  • [Journal Article] Molecular design of pi-conjugated single-chain electronically conductive polymer2006

    • Author(s)
      A.Imamura.et al.
    • Journal Title

      Int. J. Quantum Chem. 106

      Pages: 1924-1933

    • Data Source
      KAKENHI-PROJECT-16655009
  • [Journal Article] Molecular design of pi-conjugated single-chain electronically conductive polymer2006

    • Author(s)
      A.Imamura, Y.Aoki
    • Journal Title

      Int.J.Quantum Chem. 106

      Pages: 1924-1933

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-14340185
  • [Journal Article] Molecular design of a p-conjugated single-chain electronically conductive polymer2006

    • Author(s)
      A.Imamura et al.
    • Journal Title

      Int.J Quantum Chem (in press)

    • Data Source
      KAKENHI-PROJECT-14340185
  • [Journal Article] Molecular design of a p-conjugated single-chain electronically conductive polymer2006

    • Author(s)
      A.Imamura et al.
    • Journal Title

      Int.J.Quantum Chem 106

      Pages: 1924-1933

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-14340185
  • [Journal Article] Elongation Method for Polymers and its Application to Nonlinear Optics, in Atoms, Molecules and Clusters in Electric Fields : Theoretical Approaches to the Calculation of Electric Polarizabilities2006

    • Author(s)
      Feng Long Gu, Akira Imamura, Yuriko Aoki
    • Journal Title

      Imperial College Press(edited by G.Maroulis) (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-14340185
  • [Journal Article] Elongation Method with Cut-off Technique for Linear SCF Scaling2005

    • Author(s)
      J.Korchowiec, F.L.Gu, A.Imamura, B.Kirtman, Y.Aoki
    • Journal Title

      Int.J.Quantum Chem. 102

      Pages: 785-794

    • Data Source
      KAKENHI-PROJECT-14340185
  • [Journal Article] Elongation Method with Cut-off Technique for Linear SCF Scaling2005

    • Author(s)
      J.Korchowiec, F.L.Gu, A.Imamura, B.Kirtman, Y.Aoki
    • Journal Title

      Int.J.Quantum Chem 102

      Pages: 785-794

    • Data Source
      KAKENHI-PROJECT-16655009
  • [Journal Article] An analytical molecular orbital approach in Tetrathiafulvalene Tetracyanoquinodimethane (TTF-TCNQ)2004

    • Author(s)
      T.Tada, Y.Aoki, A.Imamura
    • Journal Title

      Mol.Phys. 102

      Pages: 1891-1901

    • Data Source
      KAKENHI-PROJECT-16655009
  • [Journal Article] A new localization scheme for the elongation method2004

    • Author(s)
      F.L.Gu, Y.Aoki, J.Korchowiec, A.Imamura, B.Kirtman
    • Journal Title

      J.Chem.Phys. 121

      Pages: 10385-10391

    • Data Source
      KAKENHI-PROJECT-14340185
  • [Journal Article] An analytical molecular orbital approach in Tetrathiafulvalene Tetracyanoquinodimethane(TTF-TCNQ)2004

    • Author(s)
      T.Tada, Y.Aoki, A.Imamura
    • Journal Title

      Mol.Phys. 102

      Pages: 1891-1901

    • Data Source
      KAKENHI-PROJECT-14340185
  • [Journal Article] Calculation of Static (Hyper)Polarizabilities for p-Conjugated Donor/Acceptor Molecules and Block Co-Polymers by the Elongation Finite-Field Method2004

    • Author(s)
      S.Ohnishi, F.L.Gu, K.Naka, A.Imamura, B.Kirtman, Y.Aoki
    • Journal Title

      J.Phys.Chem.A 108

      Pages: 8478-8484

    • Data Source
      KAKENHI-PROJECT-16655009
  • [Journal Article] A new localization scheme for the elongation method2004

    • Author(s)
      F.L.Gu, Y.Aoki, J.Korchowiec, A.Imamura, B.Kirtman
    • Journal Title

      J.Chem.Phys. 121

      Pages: 10385-10391

    • Data Source
      KAKENHI-PROJECT-16655009
  • [Journal Article] Calculation of Static(Hyper)Polarizabilities for p-Conjugated Donor/Acceptor Molecules and Block Co-Polymers by the Elongation Finite-Field Method2004

    • Author(s)
      S.Ohnishi, F.L.Gu, K.Naka, A.Imamura, B.Kirtman, Y.Aoki
    • Journal Title

      J.Phys.Chem.A 108

      Pages: 8478-8484

    • Data Source
      KAKENHI-PROJECT-14340185
  • [Presentation] Electric structures and molecular structures of polyynes2011

    • Author(s)
      A. Imamura and Y. Aoki
    • Organizer
      ISTCP-VII
    • Place of Presentation
      東京
    • Year and Date
      2011-09-03
    • Data Source
      KAKENHI-PROJECT-21655007
  • [Presentation] Electric structures and molecular structures of polyynes2011

    • Author(s)
      A.Imamura, Y.Aoki
    • Organizer
      ISTCP-VII
    • Place of Presentation
      東京
    • Year and Date
      2011-09-03
    • Data Source
      KAKENHI-PROJECT-23245005
  • [Presentation] Highly Accurate O(N) quantum chemical approach for DNA electron transfer and optical property analysis2010

    • Author(s)
      Y. Aoki, P. Xie, A. Imamura, F. L. Gu
    • Organizer
      Pacifichem 2010
    • Place of Presentation
      Honolulu(U. S. A)
    • Year and Date
      2010-12-18
    • Data Source
      KAKENHI-PROJECT-21655007
  • [Presentation] Highly Accurate O(N) quantum chemical approach for DNA electron transfer and optical property analysis2010

    • Author(s)
      Y.Aoki, P.Xie, A.Imamura, F.L.Gu
    • Organizer
      Pacifichem 2010
    • Place of Presentation
      KoKo Crater (Sheraton Waikiki)
    • Year and Date
      2010-12-18
    • Data Source
      KAKENHI-PROJECT-19350012
  • [Presentation] Highly Accurate O(N) quantum chemical approach for DNA electron transfer and optical property analysis2010

    • Author(s)
      Y.Aoki, P.Xie, A.Imamura, F.L.Gu
    • Organizer
      Pacifichem 2010
    • Place of Presentation
      KoKo Crater (Sheraton Waikiki)
    • Year and Date
      2010-12-18
    • Data Source
      KAKENHI-PROJECT-21655007
  • [Presentation] Highly Accurate O(N) quantum chemical approach for DNA electron transfer and optical property analysis2010

    • Author(s)
      Y.Aoki, P.Xie, A.Imamura, F.L.Gu
    • Organizer
      Pacifichem 2010
    • Place of Presentation
      Honolulu (U.S.A)
    • Year and Date
      2010-12-18
    • Data Source
      KAKENHI-PROJECT-19350012
  • 1.  AOKI Yuriko (10211690)
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  • 2.  村田 一郎 (90028077)
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    # of Collaborated Projects: 1 results
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