Kurita Noriyuki 栗田典之

… Alternative Names

栗田典之クリタノリユキ

KURITA Noriyuki 栗田典之

Less

Researcher Number	40283501
Other IDs
External Links
Affiliation (Current)	2025: 豊橋技術科学大学, 工学(系)研究科(研究院), 准教授
Affiliation (based on the past Project Information) *help	2016 – 2018: 豊橋技術科学大学, 工学(系)研究科(研究院), 准教授 2012: 豊橋技術科学大学, 工学(系)研究科(研究院), 准教授 2010 – 2012: 豊橋技術科学大学, 大学院・工学研究科, 准教授 2002 – 2005: Toyohashi University of Technology, Faculty of Engineering, Associate Professor, 工学部, 助教授 1997 – 2001: TOYOHASHI UNIVERSITY OF TECHNOLOGY,FACULTY OF ENGINEERING,STAFF ASSISTANT, 工学部, 助手
Review Section/Research Field	Principal Investigator Nanomaterials/Nanobioscience / Bioinformatics/Life informatics Except Principal Investigator Obstetrics and gynecology / Microdevices/Nanodevices / 化学工学一般 / Organic chemistry / 機能・物性・材料 / 広領域
Keywords	Principal Investigator 分子軌道計算 / DNAチップ / リチウム吸着機構 / 電極材 / リチウムイオン電池 / 炭素材料 / 電子状態 / quantum chemical calculation / crrent-voltage property / DNA charge transfer … More / molecular orbital calculation / molecular dynamics simulation / DNA chip / フラグメント分子軌道法 / 電荷平衡法 / フロンティア分子軌道 / 電流電圧特性 / 密度汎関数法 / DNAミスマッチ / PNA / 量子化学計算 / 電荷移動 / シミュレーション / 電流検出型 / 電気伝導特性 / Green関数 / DFT / 分子シミュレーション / コンピュータシミュレーション / Green 関数 / 密度汎関数 / 電気伝導度 / ナノワイヤー / プローブ核酸 / 人工核酸 / DNA チップ / ヘテロ原子置換 / 吸着エネルギー / 窒素置換炭素材料 / ホウ素置換炭素材料 / 低結晶炭素材料 / リチウム2次電池 / 電極材料 / 窒素添加炭素材料 / ホウ素添加炭素材料 / 置換型炭素材料 … More Except Principal Investigator C60 / DFT / TEM / CSD / フラーレン生成機構 / 天然フラーレン / 石炭 / 癌 / 阻害剤 / uPA / 低分子医療薬 / 卵巣癌 / 獲得耐性 / 転移 / 浸潤 / 低分子阻害薬 / 卵巣がん / Anomalous expansion / Azo-dendrimer / Delocalization of an excess electron / Long Range Correction / Pair Interaction Approximation (FMO) / Optical functional materials / 分極率 / 非経験的分子軌道計算 / アゾデンドリマー / CPDFT / CPHF / デンドリマー / 異常膨張 / 分子配向性アゾデンドリマー / 過剰電子非局在化 / 長距離補正 / ペア相互作用近似(FMO) / 光機能材料 / Fluidized bed combustion / Limestone / Alkali metal compounds / Coal combustion / Sulfur oxides / Molecular dynamics / Desulfurization / 流動層燃焼 / 石灰石 / アルカリ金属化合物 / 石炭燃焼 / 硫黄酸化物 / 分子動力学 / 脱硫 / peaceful use of explosives / Shock wave / Carbon black / Coal / Natural fullerenes / Mechanism of fullerene formation / HPLC / 天然カーボンナノ粒子 / 天然カーボンナノチューブ / 生成自由エネルギー / 電子線照射 / 煤 / 多層フラーレン / 3次元螺旋ナノ粒子 / C_<60>生成機構 / 火薬平和利用 / 衝撃波 / カーボンブラック / fragment structure / Lippincott-Schroder function / O-H...O hydrogen bond / structural parameters / inverse probability density / energy function / crystal structure / パラメータ最適化 / 固体物質予測 / 分子力学計算 / 結晶力場 / 結晶充てん計算 / Lippincott関数 / 静電ポテンシャル / 分子力学法 / 遺伝子アルゴリズム / 水素結合 / ケンブリッジ構造データベース / C-C結合長平衡値 / C-H…パイ相互作用 / O-H…O水素結合 / 構造パラメーチー確率分布 / 分子間相互作用ポテンシャル / データベース / 結晶構造からエネルギー関数 / 構造フラグメント法 / リッピンコット-シュレーダー関数 / O-H...O水素結合 / 構造パラメータ確率分布 / 確立密度反転法 / エネルギー関数 / 結晶構造 / intermediate / K-T layr / hydrocarbon fuel / metallocenes / ferrocene catalyst / fullerene formation / combustion / 墨の分析 / SAM1計算 / オレフィン-カルベン転移 / ストーン・ウエールス転移 / 燃焼管設計 / 炭化水素の不完全燃焼 / メタロロン触媒 / 中間体 / KT層 / 炭化水素燃料 / メタロセン触媒 / フェロセン触媒 / フラーレン生成 / 燃焼 / バンド計算 / 量子物理計算 / 導電剤 / 有機電解液 / ナノカーボン / 導電性酸化物 / 原子状酸素 / 遷移金属触媒 / 計算化学 / Stone-Wales転移 / 熱分解機構 / C84 / シミュレーション / 動的反応座標計算 / 分子軌道法計算 / 熱分解反応 / 平衡温度 / フラーレン Less

A promising ovarian cancer therapy in the application of a Band-Aid type peptide-based treatment
- Principal Investigator
  
  Yoshida Shozo
- Project Period (FY)
  2016 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Obstetrics and gynecology
- Research Institution
  Nara Medical University
Proposal of artificial DNA duplexes with high charge conductivity based on DFT calculationsPrincipal Investigator
- Principal Investigator
  
  KURITA Noriyuki
- Project Period (FY)
  2010 – 2012
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Bioinformatics/Life informatics
- Research Institution
  Toyohashi University of Technology
Analysis of charge transfer and I-V property for the DNA chip by quantum chemical calculationsPrincipal Investigator
- Principal Investigator
  
  KURITA Noriyuki
- Project Period (FY)
  2003 – 2005
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Nanomaterials/Nanobioscience
- Research Institution
  Toyohashi University of Technology
Theoretical Study on New Optical Functional Material by Unified Simulation Techniques
- Principal Investigator
  
  SEKINO Hideo
- Project Period (FY)
  2003 – 2004
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Microdevices/Nanodevices
- Research Institution
  Toyohashi University of Technology
新型二次電池材料の開発と高容量化
- Principal Investigator
  
  佐々木眞
- Project Period (FY)
  2002 – 2004
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  広領域
- Research Institution
  Muroran Institute of Technology
Development promotion of highly effective desulfurizers of calcium compounds by molecular dynamic simulatons
- Principal Investigator
  
  NARUSE Ichiro
- Project Period (FY)
  2001 – 2002
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  化学工学一般
- Research Institution
  Toyohashi University of Technology
ヘテロ原子置換型炭素材料のリチウム吸着特性に関する理論的研究Principal Investigator
- Principal Investigator
  
  栗田典之
- Project Period (FY)
  1999
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Research Institution
  Toyohashi University of Technology
Formation mechanism of fullerenes
- Principal Investigator
  
  OSAWA Eiji
- Project Period (FY)
  1999 – 2000
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Research Institution
  Toyohashi University of Technology
フラーレン生成機構-何故途中で熱分解しないか?
- Principal Investigator
  
  大澤映二
- Project Period (FY)
  1998
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Research Institution
  Toyohashi University of Technology
ヘテロ原子置換型炭素材料の電子状態に関する理論的研究Principal Investigator
- Principal Investigator
  
  栗田典之
- Project Period (FY)
  1998
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Research Institution
  Toyohashi University of Technology
DERIVATION OF INTERMOLECULAR INTERACTION POTENTIAL FUNCTIONS BASED ON THE CAMBRIDDGE STRUCTURAL DATABASE
- Principal Investigator
  
  OSAWA Eiji
- Project Period (FY)
  1998 – 2000
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Organic chemistry
- Research Institution
  TOYOHASHI UNIVERSITY OF TECHNOLOGY
高温分子軌道計算法の開発とそれによる分子熱分解のシミュレーション
- Principal Investigator
  
  OSAWA Eiji
- Project Period (FY)
  1997
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Toyohashi University of Technology
ヘテロ原子置換型炭素材料の電子状態に関する理論的研究Principal Investigator
- Principal Investigator
  
  栗田典之
- Project Period (FY)
  1997
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Toyohashi University of Technology
PREPARATION OF FULLERENES BY INCOMPLETE
- Principal Investigator
  
  OSAWA Eiji
- Project Period (FY)
  1996 – 1997
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  機能・物性・材料
- Research Institution
  TOYOHASHI UNIVERSITY OF TECHNOLOGY

All 2013 2012 2011 2010 2006 2005 2004 2003

All Journal Article Presentation

[Journal Article] DFT calculations on the effect of solvation on the tautomeric reactions for wobble Gua-Thy and canonical Gua-Cyt base-pairs2013
- Author(s)
  Nomura, K.; Hoshino, R.; Shimizu, E.; Hoshiba, Y.; Danilov, V. I.; Kurita, N.
- Journal Title
  
  J. Modern Physics, Special issue on DFT
  
  Volume: in press
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22650061
[Journal Article] DFT study on reaction mechanism of DNA base pair with hydroxyl radical2013
- Author(s)
  Shimizu, E.; Hoshino, R.; Nomura, K.; Danilov, V. I.; Kurita, N.
- Journal Title
  
  J. Modern Physics
  
  Pages: 442-451
- Data Source
  KAKENHI-PROJECT-22650061
[Journal Article] Effect of BrU on the transition between wobble Gua-Thy and tautomeric Gua-Thy base-pairs: ab initio molecular orbital calculations2013
- Author(s)
  Nomura, K.; Hoshino, R.; Hoshiba, Y.; Danilov, V. I.; Kurita, N.
- Journal Title
  
  Journal of Physics: Conference Series
  
  Volume: 433 Pages: 12035-12035
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22650061
[Journal Article] DFT calculations on the effect of solvation on the tautomeric reactions for wobble Gua-Thy and canonical Gua-Cyt base-pairs2013
- Author(s)
  Nomura, K.; Hoshino, R.; Shimizu, E.; Hoshiba, Y.; Danilov, V. I.; Kurita, N.
- Journal Title
  
  J. Modern Physics
  
  Pages: 422-431
- Data Source
  KAKENHI-PROJECT-22650061
[Journal Article] Effect of BrU on the transition between wobble Gua-Thy and tautomeric Gua-Thy base-pairs: ab initio molecular orbital calculations2013
- Author(s)
  Nomura, K.; Hoshino, R.; Hoshiba, Y.; Danilov, V. I.;Kurita, N.
- Journal Title
  
  Journal of Physics
  
  Pages: 433-433
- Data Source
  KAKENHI-PROJECT-22650061
[Journal Article] DFT study on reaction mechanism of DNA base pair with hydroxyl radical2013
- Author(s)
  Shimizu, E.; Hoshino, R.; Nomura, K.; Danilov, V. I.; Kurita, N.
- Journal Title
  
  J. Modern Physics, Special issue on DFT
  
  Volume: in press
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22650061
[Journal Article] A combined Green's function/density-functional theory study of electrical conducting properties of single molecules tethered to Au electrodes2012
- Author(s)
  Hoshiba, Y.; Maeda, Y.; Hamada, K.; Fukuoka, S.; Ishikawa, Y.; Kurita, N.
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 521 Pages: 39-44
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22650061
[Journal Article] A combined Green's function/density-functional theory study of electrical conducting properties of single molecules tethered to Au electrodes2012
- Author(s)
  Hoshiba, Y.; Maeda, Y.; Hamada, K.; Fukuoka, S.; Ishikawa, Y.;Kurita, N.
- Journal Title
  
  Chemical Physics Letters
  
  Pages: 521-521
- Data Source
  KAKENHI-PROJECT-22650061
[Journal Article] A combined nonequilibrium Green's function/density-functional theory study of electrical conducting properties of artificial DNA duplexes2012
- Author(s)
  Okamoto, A.; Maeda, Y.; Tsukamoto, T.; Ishikawa, Y.; Kurita, N.
- Journal Title
  
  Computational Materials Science
  
  Pages: 416-424
- Data Source
  KAKENHI-PROJECT-22650061
[Journal Article] Effect of hydration on electrical conductivity of DNA duplex : Green's function study combined with DFT2012
- Author(s)
  Maeda, Y.; Okamoto, A.; Hoshiba, Y; Tsukamofo, T.; Ishikawa, Y.; Kurita, N.
- Journal Title
  
  Computational Materials Science
  
  Volume: 53 Pages: 314-320
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22650061
[Journal Article] Effect of hydration on electrical conductivity of DNA duplex: Green's function study combined with DFT2012
- Author(s)
  Maeda, Y.; Okamoto, A.; Hoshiba, Y.; Tsukamoto, T.; Ishikawa, Y.; Kurita, N.
- Journal Title
  
  Computational Materials Science
  
  Pages: 314-320
- Data Source
  KAKENHI-PROJECT-22650061
[Journal Article] A combined nonequilibrium Green's function/density-functional theory study of electrical conducting properties of artificial DNA duplexes2012
- Author(s)
  Okamoto, A.; Maeda, Y; Tsukamoto, T.; Ishikawa, Y.; Kurita, N.
- Journal Title
  
  Computational Materials Science
  
  Volume: 53 Pages: 416-424
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22650061
[Journal Article] Specific interactions between lactose repressor protein and DNA affected by ligand binding : ab initio molecular orbital calculations2011
- Author(s)
  Ohyama, T.; Hayakawa, M.; Nishikawa, S.; Kurita, N.
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: (印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22650061
[Journal Article] Structure-based analysis of the molecular recognitions between HIV-1 TAR-RNA and transcription factor nuclear factor-kappaB (NFkB)2011
- Author(s)
  Khan, M.T.H.; Mischiati, C.; Ather, A.; Ohyama, T.; Dedachi, K.; Borgatti, M.; Kurita, N.; Gambari, R.
- Journal Title
  
  Journal Current Topics in Medicinal Chemistry
  
  Volume: (印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22650061
[Journal Article] A DFT study of uracil and5-bromouracil in nanodroplets2010
- Author(s)
  Mourik, T.V.; Danilov, V.I.; Dailidonis, V.V.; Kurita, N.;Wakabayashi, H.; Tsukamoto, T.
- Journal Title
  
  Chemistry Accounts
  
  Pages: 233-244
- Data Source
  KAKENHI-PROJECT-22650061
[Journal Article] A DFT study of uracil and 5-bromouracil in nanodroplets2010
- Author(s)
  Mourik, T.V.; Danilov, V.; Dailidonis, V.V.; Kurita, N.; Wakabayashi, H.; Tsukamoto, T.
- Journal Title
  
  Theoretical Chemistry Accounts
  
  Volume: 125 Pages: 233-244
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22650061
[Journal Article] Density-functional calculations on DNA-DNA, PNA-DNA and PNA-PNA double strands2006
- Author(s)
  Natsume, T., Ishikawa, Y., Dedachi, K., Kurita, N.
- Journal Title
  
  Chemical Physics Letters 418
  
  Pages: 239-244
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Density-functional calculations on DNA-DNA,ONA-DNA and PNA-PNA double strands2006
- Author(s)
  Natsume, T., Ishikawa, Y., Dedachi, K., Kurita, N.
- Journal Title
  
  Chemical Physics Letters 418
  
  Pages: 239-244
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Investigation of a Kubo-formula-based approach to estimate DNA conductance in an atomistic model2005
- Author(s)
  Starikov, E., Tanaka, S., Kurita, N., Sengoku, Y., Natsume, T., Wenzel, W.
- Journal Title
  
  The European Physical Journal E 18
  
  Pages: 437-445
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Charge transfer through double-strand DNA and its base-mismatched ones : theoretical analysis based on semiempirical molecular orbital calculations2005
- Author(s)
  Natsume, T., Dedachi, K., Tanaka, S., Higuchi, T.Kurita, N.
- Journal Title
  
  Chemical Physics Letters 408
  
  Pages: 381-388
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] The Structure of Watson-Crick DNA Base Pairs Obtaned by MP2 Optimization2005
- Author(s)
  Kurita, N., Danilov, V.I., Anisimov, V.
- Journal Title
  
  Chemical Physics Letters 404
  
  Pages: 164-170
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Density Functional Calculations on the Interaction between Catabolite Activator Protein and Cyclic AMP Using the Fragment Molecular Orbital Method2005
- Author(s)
  Sugiki, S., Matsuoka, M., Usuki, R., Sengoku, Y., Kurita, N., Sekino, H., Tanaka, S.
- Journal Title
  
  J.Theoretical and Computational Chemistry 4
  
  Pages: 1-13
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Charge Transfer through Double-strand DNA and its Base-mismatched Ones : Theoretical Analysis Based on Semiempirical Molecular Orbital Calculations2005
- Author(s)
  Natsume, T., Dedachi, K., Tanaka, S., Higuchi, T., Kurita, N.
- Journal Title
  
  Chemical Physics Letters 408
  
  Pages: 381-388
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] The Structure of Watson-Crick DNA Base Pairs Obtained by MP2 Optimization2005
- Author(s)
  Kurita, N., Danilov, V.I., Anisimov, V.
- Journal Title
  
  Chemical Physics Letters 404
  
  Pages: 164-170
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Density Functional Calculations on the Interaction between Catabolite Activator Protein and Cyclic AMP Using the Fragment Molecular Orbital Method2005
- Author(s)
  S.Sugiki, M.Matsuoka, R.Usuki, Y.Sengoku, N.Kurita, H.Sekino, S.Tanaka
- Journal Title
  
  4
  
  Pages: 1-13
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] DFT-FMO calculations on electronic states of DNA2004
- Author(s)
  Sengoku, Y., Matsuoka, M., Sugiki, S., Tanaka, S., Kurita, N., Sekino, H.
- Journal Title
  
  J.Comput.Aided Chem. 5
  
  Pages: 1-8
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Consistent Charge Equilibration (CQEq) Method : Application to Amino Acids and Crambin Protein2004
- Author(s)
  Tetsuji Ogawa, Noriyuki Kurita, Hideo Sekino, Osamu Kitao, Shigenori Tanaka
- Journal Title
  
  Chemical Physics Letter 397
  
  Pages: 382-387
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Consistent Charge Equilibration (CQEq) Method : Application to Amino Acids and Crambin Protein2004
- Author(s)
  T.Ogawa, N.Kurita, H.Sekino, O., S.Tanaka
- Journal Title
  
  Chem.Phys.Lett. 397
  
  Pages: 382-387
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] 密度汎関数法に基づくフラグメント分子軌道法を用いたDNA電子状態計算2004
- Author(s)
  仙石康雄, 松岡誠, 杉木真一郎, 田中成典, 栗田典之, 関野秀男
- Journal Title
  
  J. Comput. Aided Chem. 5
  
  Pages: 1-8
- NAID
  130004428053
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Charge transfer through single and double-strabd DNAs : theoretical analysis based on molecular orbital calculations2004
- Author(s)
  Dedachi, K., Natsume, T., Tanaka, S., Higuchi, T., Kurita, N.
- Journal Title
  
  J.Comput.Aided Chem. 5
  
  Pages: 52-61
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] 1重鎖及び2重鎖DNAの電流電圧特性の理論的解析2004
- Author(s)
  出立兼一, 夏目貴行, 田中成典, 樋口高年, 栗田典之
- Journal Title
  
  J. Comput. Aided Chem. 5
  
  Pages: 52-61
- NAID
  130004428057
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Ab-initio and DFT studies for accurate description of vab der Waals interaction between rare-gas atoms2003
- Author(s)
  Noriyuki Kurita, Hideo Sekino
- Journal Title
  
  Int.J.Quant.Chem. 91
  
  Pages: 355-362
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Mechanism of cis-to-trans isomerization of azobenzene : direct MD study2003
- Author(s)
  T.Ikegami.N.Kurita, H.Sekino, Y.Ishikawa
- Journal Title
  
  J.Phys.Chem. 107
  
  Pages: 4555-4560
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] DNA鎖の第一原理計算の現状と将来2003
- Author(s)
  田中成典, 福澤薫, 中野達也, 栗田典之
- Journal Title
  
  表面科学 24
  
  Pages: 664-670
- NAID
  10012433680
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Hydrogen Bonding of DNA Base Pairs by Consistent Charge Equilibration Method Combined with Universal Force Field2003
- Author(s)
  Tetsuji Ogawa, Noriyuki Kurita, Hideo Sekino, Osamu Kitao, Shigenori Tanaka
- Journal Title
  
  Chemical Physics Letters 374
  
  Pages: 271-278
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Consistent Charge Equilibration Method Combined with Universal Force Field : Application to Amino Acid Molecules2003
- Author(s)
  T.Ogawa, O.Kitao.N.Kurita, H.Sekino, S.Tanaka
- Journal Title
  
  Chem.Bio informatics Journal 3
- NAID
  130004138144
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Hydrogen Bonding of DNA Base Pairs by Consistent Charge Equilibration Method Combined with Universal Force Field2003
- Author(s)
  Ogawa, T., Kurita, N., Sekino, H., Kitao, O., Tanaka, S.
- Journal Title
  
  Chemical Physics Letters 374
  
  Pages: 271-278
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Charge Transfer in Duplex DNA Containing Mismatch2003
- Author(s)
  Okada, A., Yokojima, S., Kurita, N., Sengoku, Y., Tanaka, S.
- Journal Title
  
  Journal of Molecular Structure 630
  
  Pages: 283-290
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Ab-initio and DFT studies for accurate description of vab der Waals interaction between rare-gas atoms2003
- Author(s)
  Noriyuki Kurita, Hideo Sekino
- Journal Title
  
  International Journal of Quantum Chemistry 91
  
  Pages: 355-362
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Electronic properties of DNA binding site in transcription OmpR family : semiempirical molecular orbital calculations2003
- Author(s)
  Noriyuki Kurita, Yasuo Sengoku, Hideo Sekino
- Journal Title
  
  Chem.Phys.Lett 372
  
  Pages: 583-589
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Hydrogen Bonding of DNA Base Pairs by Consistent Charge Equilibration Method Combined with Universal Force Field2003
- Author(s)
  T.Ogawa, N.Kurita, H.Sekino.O.Kitao, S.Tanaka
- Journal Title
  
  Chem.Phys.Lett. 374
  
  Pages: 271-278
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Electronic properties of DNA binding site in transcription OmpR family : semiempirical molecular orbital calculations2003
- Author(s)
  Noriyuki Kurita, Yasuo Sengoku, Hideo Sekino
- Journal Title
  
  Chem.Phys.Lett. 372
  
  Pages: 583-589
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Molecular orbital analysis on fragment molecular orbital scheme2003
- Author(s)
  Hideo Sekino, Yasuo Sengoku, Shinichiro Sugiki, Noriuki Kurita
- Journal Title
  
  Chemical Physics Letters 378
  
  Pages: 589-597
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Molecular orbital analysis based on fragment molecular orbital scheme2003
- Author(s)
  H.Sekino, Y.Sengoku, S.Sugiki, N.Kurita
- Journal Title
  
  Chem.Phys.Lett. 378
  
  Pages: 589-597
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Adjustment of Perdew-Wang exchange functional for describing van der Waals and DNA base-stacking interactions2003
- Author(s)
  Noriyuki Kurita, Hidekazu Inoue, Hideo Sekinlo
- Journal Title
  
  Chemical Physics Letters 370
  
  Pages: 161-169
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Fragment Molecular Orbital Method with Density Functional Theory and DIIS Convergence Acceleration2003
- Author(s)
  S.Sugiki, N.Kurita, Y.Sengoku, H.Sekino
- Journal Title
  
  Chem.Phys.Lett. 382
  
  Pages: 611-617
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Fragment Molecular Orbital Method with Density Functional Theory and DIIS Convergence Acceleration2003
- Author(s)
  Sin-ichirou Sugiki, Noriyuki Kurita, Yasuo Sengoku, Hideo Sekino
- Journal Title
  
  Chemical Physics Letters 382
  
  Pages: 611-617
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] ミスマッチのあるDNA二重鎖の電子状態計算2003
- Author(s)
  夏目貴行, 仙石康雄, 栗田典之
- Journal Title
  
  Journal of Computer Aided Chemistry 4
  
  Pages: 42-51
- NAID
  130004428051
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Molecular orbital analysis based on fragment molecular orbital scheme2003
- Author(s)
  Hideo Sekino, Yasuo Sengoku, Shinichiro Sugiki, Noriuki Kurita
- Journal Title
  
  Chemical Physics Letters 378
  
  Pages: 589-597
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Mechanism of cis-to-trans isomerization of azobenzene : direct MD study2003
- Author(s)
  Tsutomu Ikegami, Noriyuki Kurita, Hideo Sekino
- Journal Title
  
  Journal of Physical Chemistry A
  
  Pages: 4555-4560
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Consistent Charge Equilibration Method Combined with Universal Force Field : Application to Amino Acid Molecules2003
- Author(s)
  Tetsuji Ogawa, Osamu Kitao, Noriyuki Kurita, Hideo Sekino, Shigenori Tanaka
- Journal Title
  
  Chem.Bio Informatics Journal 3
- NAID
  130004138144
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Electronic Properties of DNA Binding Site in Transcription OmpR Family : Semiempirical Molecular Orbital Calculations2003
- Author(s)
  Kurita, N., Sengoku, Y., Sekino, H.
- Journal Title
  
  Chemical Physics Letters 372
  
  Pages: 583-589
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Mechanism of cis-to-trans isomerization of azobenzene : direct MD study Tsutomu Ikegami2003
- Author(s)
  Tsutomu Ikegami, Noriyuki Kurita, Hideo Sekino, Yasuyuki Ishikawa
- Journal Title
  
  Journal of Physical Chemistry A107
  
  Pages: 4555-4560
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Adjustment of Perdew-Wang Exchange Functional for Describing the van der Waals and DNA Base-Stacking Interactions2003
- Author(s)
  N.Kurita, H.Inoue, H.Sekino
- Journal Title
  
  Chem.Phys.Lett. 370
  
  Pages: 161-169
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310105
[Journal Article] Adjustment of Perdew-Wang Exchange Functional for Describing the Van der Waals and DNA Base-stacking Interactions2003
- Author(s)
  Kurita, N., Inoue, H., Sekino, H.
- Journal Title
  
  Chemical Physics Letters 370
  
  Pages: 161-169
- Data Source
  KAKENHI-PROJECT-15310088
[Presentation] DFT study on the tautomeric reactions for wobble Gua-Thy and canonical Gua-Cyt base-pairs2013
- Author(s)
  K. Nomura, R. Hoshino, Y. Hoshiba, V. I. Danilov, N. Kurita
- Organizer
  3rd AICS International Symposium
- Place of Presentation
  神戸市
- Data Source
  KAKENHI-PROJECT-22650061
[Presentation] DFT study on the tautomeric reactions for wobble Gua-Thy and canonical Gua-Cyt base-pairs2013
- Author(s)
  K. Nomura, R. Hoshino, Y. Hoshiba, V. I. Danilov,N. Kurita
- Organizer
  3rd AICS International Symposium
- Place of Presentation
  Kobe, Japan
- Data Source
  KAKENHI-PROJECT-22650061
[Presentation] Effect of BrU on the isomerization reaction between wobble Gua-Thy and tautomeric Gua-Thy base pairs: ab initio MO calculations2012
- Author(s)
  K. Nomura, R. Hoshino, Y. Hoshiba, V. I. Danilov, N. Kurita
- Organizer
  AP-IRC 2012
- Place of Presentation
  愛知県
- Data Source
  KAKENHI-PROJECT-22650061
[Presentation] Effect of BrU on the isomerization reaction between wobble Gua-Thy and tautomeric Gua-Thy base pairs: ab initio MO calculations2012
- Author(s)
  K. Nomura, R. Hoshino, Y. Hoshiba, V. I. Danilov, N. Kurita
- Organizer
  AP-IRC 2012
- Place of Presentation
  Tahara, Japan
- Data Source
  KAKENHI-PROJECT-22650061
[Presentation] 高精度分子シミュレーションによるDNA二重鎖の電気伝導度を向上させる新規人工核酸塩基の提案2012
- Author(s)
  清水栄佑, 岡本晃澄, 前田躍, 干場靖浩, Ishikawa Yasuyuki , 栗田典之
- Organizer
  電気関係学会東海支部連合大会
- Place of Presentation
  愛知県
- Data Source
  KAKENHI-PROJECT-22650061
[Presentation] 分子シミュレーションによる燃料電池の白金電極表面での窒素の反応機構の解析2012
- Author(s)
  星野良太, 干場靖浩, 前田躍,Ishikawa Yasuyuki , 栗田典之
- Organizer
  電気関係学会東海支部連合大会
- Place of Presentation
  愛知県
- Data Source
  KAKENHI-PROJECT-22650061
[Presentation] 第一原理分子軌道計算によるDNA塩基対の異性化反応の遷移状態の探索2012
- Author(s)
  野村和哉, 干場靖浩, Victor I. Danilov, 栗田典之
- Organizer
  第6回分子科学討論会
- Place of Presentation
  東京都
- Data Source
  KAKENHI-PROJECT-22650061
[Presentation] 高精度分子シミュレーションによる様々な単一分子の電気伝導特性の解析2012
- Author(s)
  徳山雄生, 浜田勝光, 前田躍, 干場靖浩, Ishikawa Yasuyuki , 栗田典之
- Organizer
  電気関係学会東海支部連合大会
- Place of Presentation
  愛知県
- Data Source
  KAKENHI-PROJECT-22650061
[Presentation] 密度汎関数法による人工核酸塩基を含むDNA2重鎖の電気伝導特性の解析2011
- Author(s)
  岡本晃澄, 前田躍, 干場靖浩, 清水栄佑, Y. Ishikawa,栗田典之
- Organizer
  第5回分子科学討論会
- Place of Presentation
  北海道
- Data Source
  KAKENHI-PROJECT-22650061
[Presentation] A combined Green's function and density-functional study of electrical conductivity of artificial DNA duplexes2011
- Author(s)
  A. Okamoto, Y. Maeda, T. Tsukamoto, Y. Ishikawa, N. Kurita
- Organizer
  WATOC 2011
- Place of Presentation
  Compostela, Spain
- Data Source
  KAKENHI-PROJECT-22650061
[Presentation] 密度汎関数法による人工核酸塩基を含むDNA2重鎖の電気伝導特性の解析2011
- Author(s)
  岡本晃澄, 前田躍, 干場靖浩, 清水栄佑, Y.Ishikawa, 栗田典之
- Organizer
  第5回分子科学討論会
- Place of Presentation
  札幌コンベンションセンター(札幌市)
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PROJECT-22650061
[Presentation] Molecular simulations of electrical conducting properties of artificial DNA duplexes using nonequilibrium Green's functioncoupled with DFT2010
- Author(s)
  A. Okamoto, T. Tsukamoto, Y. Maeda, Y. Ishikawa, N. Kurita
- Organizer
  CBI Annual Meeting 2010
- Place of Presentation
  Tokyo, Japan
- Data Source
  KAKENHI-PROJECT-22650061
[Presentation] Molecular simulations of electrical conducting properties of artificial DNA duplexes using nonequilibrium Green's function coupled with DFT2010
- Author(s)
  Okamoto, A.; Tsukamoto, T.; Maeda, Y.; Ishikawa, Y.; Kurita, N.
- Organizer
  CBI学会2010年大会
- Place of Presentation
  東京都
- Data Source
  KAKENHI-PROJECT-22650061
[Presentation] 分子シミュレーションによるカーボンナノチューブと多環芳香族アンモニウム誘導体の複合体の電気伝導特性の解析2010
- Author(s)
  福岡昭一,前田躍,塚本貴志,早野薫,香村郁代,栗田典之
- Organizer
  第4回分子科学討論会
- Place of Presentation
  大阪府
- Data Source
  KAKENHI-PROJECT-22650061
[Presentation] 第一原理分子シミュレーションによるDNA二重鎖の電気伝導特性の解析2010
- Author(s)
  前田躍,塚本貴志,岡本晃澄,干場靖浩,Y. Ishikawa,栗田典之
- Organizer
  第4回分子科学討論会
- Place of Presentation
  大阪府
- Data Source
  KAKENHI-PROJECT-22650061
[Presentation] 低分子の電気伝導特性に関する理論的研究2010
- Author(s)
  浜田勝光,福岡昭一,干場靖浩,前田躍,塚本貴志,Y. Ishikawa,栗田典之
- Organizer
  第4回分子科学討論会
- Place of Presentation
  大阪府
- Data Source
  KAKENHI-PROJECT-22650061

1. OZAWA Haruki (30293757)

# of Collaborated Projects: 5 results

# of Collaborated Products: 0 results
2. OSAWA Eiji (40001763)

# of Collaborated Projects: 5 results

# of Collaborated Products: 0 results
3. SLANINA Zdenek (10283508)

# of Collaborated Projects: 4 results

# of Collaborated Products: 0 results
4. GOTO Hitoshi (60282042)

# of Collaborated Projects: 3 results

# of Collaborated Products: 0 results
5. NARUSE Ichiro (80218065)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. TANAKA Shigenori (10379480)

# of Collaborated Projects: 1 results

# of Collaborated Products: 13 results
7. SEKINO Hideo (40335104)

# of Collaborated Projects: 1 results

# of Collaborated Products: 21 results
8. SUMI Tomonari (40345955)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. Yoshida Shozo (40347555)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. 佐々木眞 (70187128)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. 山田有紀 (20588537)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. 小林浩 (40178330)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
13. 長安実加 (80623496)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
14. 伊藤聡

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results

Kurita Noriyuki 栗田 典之

栗田 典之 クリタ ノリユキ

KURITA Noriyuki 栗田 典之

Research Projects

Research Products

Co-Researchers

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Proposal of artificial DNA duplexes with high charge conductivity based on DFT calculationsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Analysis of charge transfer and I-V property for the DNA chip by quantum chemical calculationsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

ヘテロ原子置換型炭素材料のリチウム吸着特性に関する理論的研究Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Institution

Principal Investigator

Project Period (FY)

Research Category

Research Institution

Principal Investigator

Project Period (FY)

Research Category

Research Institution

ヘテロ原子置換型炭素材料の電子状態に関する理論的研究Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Institution

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Principal Investigator

Project Period (FY)

Research Category

Research Institution

ヘテロ原子置換型炭素材料の電子状態に関する理論的研究Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Institution

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Journal Article] DFT calculations on the effect of solvation on the tautomeric reactions for wobble Gua-Thy and canonical Gua-Cyt base-pairs2013

Author(s)

Journal Title

Data Source

[Journal Article] DFT study on reaction mechanism of DNA base pair with hydroxyl radical2013

Kurita Noriyuki 栗田典之

栗田典之クリタノリユキ

KURITA Noriyuki 栗田典之