KIKUCHI Yasuaki 菊地那明

… Alternative Names

KIKUTI Yasuaki 菊池那明

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Researcher Number	00434283
Other IDs
Affiliation (based on the past Project Information) *help	2009: 早稲田大学, 理工学術院, 助手 2006 – 2007: Faculty of Science and Engineering, Research Assistant, 理工学術院, 助手
Review Section/Research Field	Except Principal Investigator Organic chemistry / Science and Engineering / Physical chemistry
Keywords	Except Principal Investigator NOMO法 / 5 coordinate phosphorane / 6 coordinate carbon species / 5 coordinate carbon species / 4 coordinate phosphoranide / 6 coordinate perphosphoranide / hypervalent compound / ホスホラニドアニオン / 6配位リン化学種 / チオキサンテンアレン … More / 6配位炭素種 / 超原子価 / 5配位リン化合物 / 6配位炭素化合物 / 5配位炭素化合物 / 4配位リンアニオン / 6配位リンアニオン / 超原子価化合物 / 電子状態理論計算 / AIMD法 / 量子ダイナミックス / 高精度化 / 高速化 / 量子効果 / 核・電子軌道理論 / 凍結軌道解析 / 局所応答分散力法 / エネルギー密度解析 / 分割統治電子相関法 / 非経験的分子動力学法 / 電子軌道理論 / 核 / 電子核波動関数 / 原子核波動関数 / TRF-Hamiltonian / 回転運動 / 並進運動 / ボルン・オッペンハイマー近似 / 非断熱理論 / 原子核波動数 Less

Development of accelerated quantum dynamics theory
- Principal Investigator
  
  NAKAI Hiromi
- Project Period (FY)
  2006 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Waseda University
Innovation of 6 Coordinate Hypervalent Compounds Bearing Carbon and Phosphorus as Central Atoms
- Principal Investigator
  
  AKIBA Kin-ya
- Project Period (FY)
  2005 – 2006
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Organic chemistry
- Research Institution
  Waseda University
電子および原子核波動関数の同時決定法の開発とその応用
- Principal Investigator
  
  NAKAI Hiromi
- Project Period (FY)
  2004 – 2006
- Research Category
  
  Grant-in-Aid for Exploratory Research
- Research Field
  
  Physical chemistry
- Research Institution
  Waseda University

All 2010 2009 2008 2007 2006 2005

All Journal Article Presentation Book

[Book] エネルギー密度解析による表面モデルの検証および触媒作用の解明 (触媒, 50 (7),601?607)2008
- Author(s)
  中井浩巳, 菊池那明, 今村穣
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] One-body energy decomposition schemes revisited : Assessment of Mulliken-, grid-, and conventional energy density analyses2009
- Author(s)
  Y. Kikuchi, Y. Imamura, H. Nakai
- Journal Title
  
  Mt. J. Quant. Chem. 109
  
  Pages: 2464-2473
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] One-body energy decomposition schemes revisited: Assessment of Mulliken-, grid-, and conventional energy density analyses2009
- Author(s)
  Y. Kikuchi, Y. Imamura, H. Nakai
- Journal Title
  
  Int. J. Quant. Chem. 109(11)
  
  Pages: 2464-2473
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Determination of active sites based on unified analysis of potential energy profile in chemical reaction: application to C-H activation of methane by Ti(IV)-imido complex2008
- Author(s)
  H. Nakai, J. Suzuki, Y. Kikuchi
- Journal Title
  
  Chem. Phys. Lett. 460(1-3)
  
  Pages: 347-351
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Determination of active sites based on unified analysis of potential energy profile in chemical reaction : application to C-H activation of methane by Ti(IV)-imido complex2008
- Author(s)
  H. Nakai, J. Suzuki, Y. Kikuchi
- Journal Title
  
  Chem. Phys. Lett. 460
  
  Pages: 347-351
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Discovery of hexacoordinate hypervalent carbon compounds: Density functional study2008
- Author(s)
  Y. Kikuchi, M. Ishii, K. -y. Akiba, H. Nakai
- Journal Title
  
  Chem. Phys. Lett. 460(1-3)
  
  Pages: 37-41
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Discovery of hexacoordinate hypervalent carbon compounds : Density functional study2008
- Author(s)
  Y. Kikuchi, M. Ishii, K.-y. Akiba, H. Nakai
- Journal Title
  
  Chem. Phys. Lett. 460
  
  Pages: 37-41
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Application of bond energy density analysis (Bond-EDA) to Diels-Alder reaction2007
- Author(s)
  T. Baba, M. Ishii, Y. Kikuchi, H. Nakai
- Journal Title
  
  Chem. Lett. 36
  
  Pages: 616-617
- NAID
  10019935702
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Application of bond energy density analysis (Bond-EDA) to Diels-Alder reaction2007
- Author(s)
  T. Baba, M. Ishii, Y. Kikuchi, H. Nakai
- Journal Title
  
  Chem. Lett. 36(5)
  
  Pages: 616-6178
- NAID
  10019935702
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Energy density analysis of cluster size dependence of surface-molecule interactions (II) : Formate adsorption onto a Cu (111) surface2006
- Author(s)
  H.Nakai, Y.Kikuchi
- Journal Title
  
  J. Comput. Chem. 27(8)
  
  Pages: 917-925
- Data Source
  KAKENHI-PROJECT-16655010
[Journal Article] Energy density analysis of cluster size dependence of surface-molecule interactions (II): Formate adsorption onto a Cu(111) surface2006
- Author(s)
  H. Nakai, Y. Kikuchi
- Journal Title
  
  J. Comput. Chem. 27(8)
  
  Pages: 917-925
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Energy density analysis of cluster size dependence of surface-molecule interactions (II) : Formate adsorption onto a Cu (111) surface2006
- Author(s)
  H.Nakai, Y.Kikuchi
- Journal Title
  
  J. Comput. Chem. 27(8)
  
  Pages: 917-925
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Extension of Energy Density Analysis to Treating Chemical Bonds in Molecules2005
- Author(s)
  H.Nakai, Y.Kikuchi
- Journal Title
  
  J.Theor.Comas.Chem. 4(1)
  
  Pages: 317-332
- Data Source
  KAKENHI-PROJECT-16655010
[Journal Article] Energy Density Analysis of Kohn-Sham DFT Method and Its Applications2005
- Author(s)
  Y.Kikuchi, Y.Kurabayashi, H.Nakai
- Journal Title
  
  Bull.Soc.Discrete Variational X_α 18(1)
  
  Pages: 7-19
- Data Source
  KAKENHI-PROJECT-16655010
[Presentation] エネルギー密度解析の平面波基底への拡張(2)2010
- Author(s)
  岡田剛嗣, 今村穣, 菊池那明, 中井浩巳
- Organizer
  日本化学会第90春季年会
- Place of Presentation
  東大阪
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 新しい結合エネルギー密度解析の提案2009
- Author(s)
  菊池那明, 大橋英明, 今村穣, 中井浩巳
- Organizer
  科研費特定領域研究「実在系の分子理論」第四回公開シンポジウム
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 理論計算による6配位超原子価炭素化合物の提案2009
- Author(s)
  大越昌樹, 渥美照夫, 菊池那明, 秋葉欣也, 中井浩巳
- Organizer
  日本化学会第3回関東支部大会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] Determination of active sites based on unified analysis of potential energy profile in chemical reaction : Application to C-H activation of methane by Ti(IV)-imido complexitile2009
- Author(s)
  J. Suzuki, Y. Kikuchi, H. Nakai
- Organizer
  The 3rd Global COE International Symposium on 'Practical Chemical Wisdom
- Place of Presentation
  Waseda University (Tokyo, Japan)
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 6配位超原子価炭素化合物の理論設計2009
- Author(s)
  大越昌、渥美照夫、菊池那明、秋葉欣哉、中井浩巳
- Organizer
  日本化学会第89春季年会
- Place of Presentation
  船橋
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 新しい結合エネルギー密度解析手法の開発と数値検証2009
- Author(s)
  大橋英明, 今村穣, 菊池那明, 中井浩巳
- Organizer
  日本コンピュータ化学会2009春季年会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] Symmetry Rules for Excited States of Degenerate Systems2009
- Author(s)
  Yutaka Imamura, Yasuaki Kikuchi, Hiromi Nakai
- Organizer
  APCTCC-4
- Place of Presentation
  Port Dickson, Malysia
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 結合エネルギー密度解析の改良と数値検証2009
- Author(s)
  大橋英明, 今村穣, 菊池那明, 中井浩巳
- Organizer
  第12回理論化学討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 時間依存密度汎関数理論の凍結軌道解析2009
- Author(s)
  今村穣, 菊池那明, 中井浩巳
- Organizer
  第3回分子科学討論会
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 結合エネルギーの解析手法に対する数値検証と理論展開2009
- Author(s)
  大橋英明、今村穣、菊池那明、中井浩巳
- Organizer
  日本化学会第89春季年会
- Place of Presentation
  船橋
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 6配位超原子価炭素化合物に関する理論的研究2009
- Author(s)
  大越昌樹, 渥美照夫, 菊池那明, 秋葉欣哉, 中井浩巳
- Organizer
  日本コンピュータ化学会2009春季年会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-18066016

1. NAKAI Hiromi (00243056)

# of Collaborated Projects: 3 results

# of Collaborated Products: 25 results
2. IMAMURA Yutaka (60454063)

# of Collaborated Projects: 2 results

# of Collaborated Products: 10 results
3. 星野稔 (10409675)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
4. 山内佑介 (40409678)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
5. KOBAYASHI Masato (40514469)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. SATO Takeshi (30507091)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. ATSUMI Teruo (30514210)

# of Collaborated Projects: 1 results

# of Collaborated Products: 3 results
8. AKIBA Kin-ya (20011538)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. SHIBATA Takanori (80265735)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. 袖山慶太郎 (40386610)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results

KIKUCHI Yasuaki 菊地 那明

KIKUTI Yasuaki 菊池 那明

Research Projects

Research Products

Co-Researchers

Development of accelerated quantum dynamics theory

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Innovation of 6 Coordinate Hypervalent Compounds Bearing Carbon and Phosphorus as Central Atoms

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

電子および原子核波動関数の同時決定法の開発とその応用

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Book] エネルギー密度解析による表面モデルの検証および触媒作用の解明 (触媒, 50 (7),601?607)2008

Author(s)

Data Source

[Journal Article] One-body energy decomposition schemes revisited : Assessment of Mulliken-, grid-, and conventional energy density analyses2009

Author(s)

Journal Title

Data Source

[Journal Article] One-body energy decomposition schemes revisited: Assessment of Mulliken-, grid-, and conventional energy density analyses2009

Author(s)

Journal Title

Data Source

[Journal Article] Determination of active sites based on unified analysis of potential energy profile in chemical reaction: application to C-H activation of methane by Ti(IV)-imido complex2008

Author(s)

Journal Title

Data Source

[Journal Article] Determination of active sites based on unified analysis of potential energy profile in chemical reaction : application to C-H activation of methane by Ti(IV)-imido complex2008

Author(s)

Journal Title

Data Source

[Journal Article] Discovery of hexacoordinate hypervalent carbon compounds: Density functional study2008

Author(s)

Journal Title

Data Source

[Journal Article] Discovery of hexacoordinate hypervalent carbon compounds : Density functional study2008

Author(s)

Journal Title

Data Source

[Journal Article] Application of bond energy density analysis (Bond-EDA) to Diels-Alder reaction2007

Author(s)

Journal Title

NAID

Data Source

[Journal Article] Application of bond energy density analysis (Bond-EDA) to Diels-Alder reaction2007

Author(s)

Journal Title

NAID

Data Source

[Journal Article] Energy density analysis of cluster size dependence of surface-molecule interactions (II) : Formate adsorption onto a Cu (111) surface2006

Author(s)

Journal Title

Data Source

[Journal Article] Energy density analysis of cluster size dependence of surface-molecule interactions (II): Formate adsorption onto a Cu(111) surface2006

Author(s)

Journal Title

Data Source

[Journal Article] Energy density analysis of cluster size dependence of surface-molecule interactions (II) : Formate adsorption onto a Cu (111) surface2006

Author(s)

Journal Title

Data Source

[Journal Article] Extension of Energy Density Analysis to Treating Chemical Bonds in Molecules2005

Author(s)

Journal Title

Data Source

[Journal Article] Energy Density Analysis of Kohn-Sham DFT Method and Its Applications2005

Author(s)

Journal Title

Data Source

KIKUCHI Yasuaki 菊地那明

KIKUTI Yasuaki 菊池那明