Hori Kenji 堀憲次

… Alternative Names

HORI Kenji 堀憲次

HORI Kenzi 堀憲次

堀憲次ホリケンジ

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Researcher Number	30165568
Other IDs
External Links
Affiliation (Current)	2025: 国立研究開発法人産業技術総合研究所, 材料・化学領域, 客員研究員
Affiliation (based on the past Project Information) *help	2007 – 2008: Yamaguchi University, 大学院・理工学研究科, 教授 2000 – 2003: Yamaguchi University, Faculty of Engineering, Professor, 工学部, 教授 1997 – 1999: 山口大学, 工学部, 助教授 1995: 九州大学, 有機化学基礎研究センター, 助教授 1993: 山口大学, 教養部, 助教授
Review Section/Research Field	Principal Investigator Science and Engineering / Synthetic chemistry / 工業物理化学 / Organic chemistry / Organic chemistry
Keywords	Principal Investigator 非経験的分子軌道計算 / DAST / 溶媒効果 / 情報化学 / 選択的メチル化 / 反応機構 / 含フッ素化合物 / 活性化エネルギー / アルカリ加水分解 / Transition state … More / data base / Density Functional Theory / fusion / Information chemistry / computational chemistry / Ab initio calculations / Synthesis route system / 合成経路開発 / コンピュータ支援 / GIAO計算 / 反応解析 / 遷移状態 / 遷移状態データベース / 密度汎関数理論計算 / 融合 / 計算化学 / 合成経路設計 / fluorination / sp^2 carbon / selective methylation / S_N1-like mechanism / Density Functional method / Ab initio MO calculation / fluorine compounds / 付加脱離機構 / Sn1機構 / Sn2型機構 / カウンターカチオン / Yukawa-Tsuno equation / Proton Affinity / Substituent effect / Ab initio MO calculations / プロトンアフィニティ / 機構変動 / プロトンアフィュティ / 湯川-都野式 / プロトンアフィニティー / 置換基効果 / 分子軌道計算 / 有機合成化学 / 多変量解析 / 合成経路設計システム / メタンジアゾニウム / 極性溶媒 / 機能発現機構 / イオン選択性 / アセトニトリル / 12-crown-02-N / モンテカルロシミュレーション / 四面体型中間体 / モンテカルロ法 / エステル / オキサゾリン / アジリジン / 異性化反応 / 付加・脱離機構 / SNi機構 / 極限的反応座標 / 非経験分子軌道法 / 理論的研究 / 反応経路 / アミド Less

Formulation of synthetic route design system using the Transition State Data Base(TSDB)Principal Investigator
- Principal Investigator
  
  HORI Kenji
- Project Period (FY)
  2007 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Organic chemistry
- Research Institution
  Yamaguchi University
An Attempt of Combining Computational and Information Chemistry for Developing New Synthesis Routes of CompoundsPrincipal Investigator
- Principal Investigator
  
  HORI Kenzi
- Project Period (FY)
  2002 – 2003
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Synthetic chemistry
- Research Institution
  Yamaguchi University
MO/MC法により溶媒効果を考慮した極性溶媒中での化学反応・分子機能の制御と設計Principal Investigator
- Principal Investigator
  
  堀憲次
- Project Period (FY)
  2000 – 2001
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  Yamaguchi University
MO/MC法による溶媒効果の考慮と極性溶媒中での反応の制御と設計-モンテカルロ法と分子軌道法を組み合せた溶媒効果の検討-Principal Investigator
- Principal Investigator
  
  堀憲次
- Project Period (FY)
  1999
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  Yamaguchi University
Fundamental Research of Reactivity and Usage of Reagents FluorinePrincipal Investigator
- Principal Investigator
  
  HORI Kenzi
- Project Period (FY)
  1999 – 2000
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  工業物理化学
- Research Institution
  Yamaguchi University
Theoretical Analysis on substituent effects for Chemical Reactions by using Ab Initio Molecular Orbital Calculations.Principal Investigator
- Principal Investigator
  
  HORI Kenzi
- Project Period (FY)
  1997 – 1998
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Organic chemistry
- Research Institution
  YAMAGUCHI UNIVERSITY
酸触媒による1-アシルアジリジンの異性化反応に関する理論的研究Principal Investigator
- Principal Investigator
  
  堀憲次
- Project Period (FY)
  1995
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Kyushu University
アミドのアルカリ加水分解における新たな反応経路に関する理論的研究Principal Investigator
- Principal Investigator
  
  堀憲次
- Project Period (FY)
  1993
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Yamaguchi University

All 2008 2007

All Journal Article Presentation

[Journal Article] Parallelized QM/MC simulations applied to the Diels-Alder reaction in aqueous2008
- Author(s)
  山口徹、隅本倫徳、堀憲次
- Journal Title
  
  methanol and propane solutions、Chem. Phys 460巻(Lett)
  
  Pages: 331-335
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19550044
[Journal Article] Monte Carlo Simulation Using Quantum Mechanical Calculations (QM/MC Simulation)2008
- Author(s)
  山口徹、隅本倫徳、堀憲次
- Journal Title
  
  An Application to Alkaline Hydrolysis of Methylacetate.、J. Comput. Aided Chem 9巻
  
  Pages: 62-69
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19550044
[Journal Article] Predicting experimental yields as an index to rank synthesis routes : application for Diels-Alder reactions2008
- Author(s)
  堀憲次、坂本誠、山口徹、隅本倫徳、岡野克彦、山本豪紀
- Journal Title
  
  Tetrahedron 64巻
  
  Pages: 1759-1764
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19550044
[Journal Article] Predicting experimental yields as an index to rank synthesis routes:application for Diels-Alder reactions2008
- Author(s)
  K. Hori, 他5名
- Journal Title
  
  Tetrahedron 64
  
  Pages: 1759-1764
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19550044
[Presentation] A novel chemical database for sustainable development of synthesis routes : An instance of developing synthesis routes of quinolone derivatives2008
- Author(s)
  堀憲次、山口徹、貞富博喬、隅本倫徳
- Organizer
  8^<th> International Conference on Chemical Structures
- Place of Presentation
  Noordwijkerhout, Netherlands
- Year and Date
  2008-06-01
- Data Source
  KAKENHI-PROJECT-19550044
[Presentation] ホウ酸・硫酸触媒によるフェノールのエステル化反応に関する理論的研究2008
- Author(s)
  示野真規、隅本倫徳、堀憲次
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡国際会議場
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PROJECT-19550044
[Presentation] QM/MC/FEP法を用いた化学反応に及ぼす溶媒効果に関する理論的研究2008
- Author(s)
  上江洲啓太、山口徹、森本薫、三木史人、隅本倫徳、堀憲次
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡国際会議場
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PROJECT-19550044
[Presentation] Calculation of difference in free energy of solvations using the QM/MC/FEP method in chemical reactions2008
- Author(s)
  上江洲啓太、山口徹、森本薫、三木史人、隅本倫徳、堀憲次
- Organizer
  8^<th> International Conference on Chemical Structures
- Place of Presentation
  Noordwijkerhout, Netherlands
- Year and Date
  2008-06-01
- Data Source
  KAKENHI-PROJECT-19550044
[Presentation] Combinatorial chemistry using theoretical calculations. An application to boric acid catalyzed esterification of phenol2008
- Author(s)
  示野真規、隅本倫徳、堀憲次
- Organizer
  8^<th> International Conference on Chemical Structures
- Place of Presentation
  Noordwijkerhout, Netherlands
- Year and Date
  2008-06-01
- Data Source
  KAKENHI-PROJECT-19550044
[Presentation] シクロオキシムの環状構造とBeckmann転位の反応性に関する理論的研究2008
- Author(s)
  寺島沙織、河本紘志、隅本倫徳、杉本常実、福田泰久、堀憲次
- Organizer
  日本化学会第88春季年会
- Place of Presentation
  立教大学
- Year and Date
  2008-03-28
- Data Source
  KAKENHI-PROJECT-19550044
[Presentation] 硫酸を用いたBeckmann転位反応におけるリングサイズ依存性に関する理論的研究2008
- Author(s)
  寺島沙織、河本紘志、杉本常美、福田泰久、隅本倫徳、堀憲次
- Organizer
  2008日本化学会西日本大会
- Place of Presentation
  長崎大学
- Year and Date
  2008-11-16
- Data Source
  KAKENHI-PROJECT-19550044
[Presentation] Toward in silico screening using transition state data base for developing new synthesis route2008
- Author(s)
  山口徹、貞富博喬、隅本倫徳、堀憲次
- Organizer
  8^<th> International Conference on Chemical Structures
- Place of Presentation
  Noordwijkerhout, Netherlands
- Year and Date
  2008-06-01
- Data Source
  KAKENHI-PROJECT-19550044
[Presentation] オープンソースソフトウェアのみを用いた化学構造検索システムの構築2007
- Author(s)
  堀憲次、他2名
- Organizer
  第30回情報化学討論会
- Place of Presentation
  京都大学百周年時計台記念館
- Data Source
  KAKENHI-PROJECT-19550044
[Presentation] オープンソースソフトウェアのみを用いた化学構造検索システムの構築2007
- Author(s)
  堀憲次、山口徹、隅本倫徳
- Organizer
  第30回情報化学討論会
- Place of Presentation
  京都大学
- Year and Date
  2007-11-15
- Data Source
  KAKENHI-PROJECT-19550044
[Presentation] MO/MC法を用いたエステルの酸加水分解性予測2007
- Author(s)
  上江洲啓太、山口徹、隅本倫徳、堀憲次
- Organizer
  第30回情報化学討論会
- Place of Presentation
  京都大学
- Year and Date
  2007-11-15
- Data Source
  KAKENHI-PROJECT-19550044
[Presentation] QM/MC法を用いた溶媒和自由エネルギーに関する理論的研究-エステルの酸加水分解反応-2007
- Author(s)
  山口徹、隅本倫徳、堀憲次
- Organizer
  第1回分子科学討論会2007
- Place of Presentation
  東北大学
- Year and Date
  2007-09-19
- Data Source
  KAKENHI-PROJECT-19550044
[Presentation] 遷移状態データベースVIII-Webインターフェイス及び構造検索システムの開発-2007
- Author(s)
  山口徹、隅本倫徳、堀憲次
- Organizer
  第30回情報化学討論会
- Place of Presentation
  京都大学
- Year and Date
  2007-11-15
- Data Source
  KAKENHI-PROJECT-19550044

1. YAMAMOTO Hidetoshi (70264116)

# of Collaborated Projects: 2 results

# of Collaborated Products: 1 results
2. SUMIMOTO Michinori (40414007)

# of Collaborated Projects: 1 results

# of Collaborated Products: 15 results
3. TSUNO Yuho (10024895)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results

Hori Kenji 堀 憲次

HORI Kenji 堀 憲次

HORI Kenzi 堀 憲次

堀 憲次 ホリ ケンジ

Research Projects

Research Products

Co-Researchers

Formulation of synthetic route design system using the Transition State Data Base(TSDB)Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

An Attempt of Combining Computational and Information Chemistry for Developing New Synthesis Routes of CompoundsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

MO/MC法により溶媒効果を考慮した極性溶媒中での化学反応・分子機能の制御と設計Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

MO/MC法による溶媒効果の考慮と極性溶媒中での反応の制御と設計-モンテカルロ法と分子軌道法を組み合せた溶媒効果の検討-Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Fundamental Research of Reactivity and Usage of Reagents FluorinePrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Theoretical Analysis on substituent effects for Chemical Reactions by using Ab Initio Molecular Orbital Calculations.Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

酸触媒による1-アシルアジリジンの異性化反応に関する理論的研究Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Institution

アミドのアルカリ加水分解における新たな反応経路に関する理論的研究Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Institution

[Journal Article] Parallelized QM/MC simulations applied to the Diels-Alder reaction in aqueous2008

Author(s)

Journal Title

Data Source

[Journal Article] Monte Carlo Simulation Using Quantum Mechanical Calculations (QM/MC Simulation)2008

Author(s)

Journal Title

Data Source

[Journal Article] Predicting experimental yields as an index to rank synthesis routes : application for Diels-Alder reactions2008

Author(s)

Journal Title

Data Source

[Journal Article] Predicting experimental yields as an index to rank synthesis routes:application for Diels-Alder reactions2008

Author(s)

Journal Title

Data Source

[Presentation] A novel chemical database for sustainable development of synthesis routes : An instance of developing synthesis routes of quinolone derivatives2008

Author(s)

Organizer

Place of Presentation

Year and Date

Data Source

[Presentation] ホウ酸・硫酸触媒によるフェノールのエステル化反応に関する理論的研究2008

Author(s)

Organizer

Place of Presentation

Year and Date

Hori Kenji 堀憲次

HORI Kenji 堀憲次

HORI Kenzi 堀憲次

堀憲次ホリケンジ