Matsui Toru 松井亨

… Alternative Names

MATSUI Toru 松井亨

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Researcher Number	70716076
Other IDs
Affiliation (Current)	2025: 筑波大学, 数理物質系, 准教授
Affiliation (based on the past Project Information) *help	2015 – 2023: 筑波大学, 数理物質系, 准教授 2014: 独立行政法人理化学研究所, 計算科学研究機構, 特別研究員
Review Section/Research Field	Principal Investigator Basic Section 32010:Fundamental physical chemistry-related / Physical chemistry Except Principal Investigator Functional solid state chemistry
Keywords	Principal Investigator 量子化学計算 / 酸解離定数 / 金属錯体 / 溶媒和モデル / 密度汎関数理論 / 酸化還元電位 / 構造機能相関 / 構造揺らぎ / タンパク質 / logP … More / 分配係数 / 機械学習 / 標準水素電極ポテンシャル / 面外振動 / ヘム … More Except Principal Investigator 制約密度汎関数法 / 光機能性化合物 / 分子間電子移動 / TDDFT / ナフタルイミド誘導体 / 励起電子状態 / CDFT / TD-DFT / 光誘起電子移動 / MNEI / アニオンセンサー Less

Development of pKa estimation scheme for polar amino acids considering protein conformational fluctuationPrincipal Investigator
- Principal Investigator
  
  松井亨
- Project Period (FY)
  2023 – 2025
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  University of Tsukuba
A theoretical study for the improvement of solvation model by machine learningPrincipal Investigator
- Principal Investigator
  
  Matsui Toru
- Project Period (FY)
  2019 – 2022
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  University of Tsukuba
Integrated Theoretical and Experimental Studies on Characteristic Photo-induced Properties of Novel Naphthalimide Derivatives
- Principal Investigator
  
  Morihashi Kenji
- Project Period (FY)
  2017 – 2020
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Functional solid state chemistry
- Research Institution
  University of Tsukuba
A Computational study on the correlation between out-of-plane mode of heme and redox potentialPrincipal Investigator
- Principal Investigator
  
  MATSUI Toru
- Project Period (FY)
  2014 – 2016
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  University of Tsukuba
  The Institute of Physical and Chemical Research

All 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014

All Journal Article Presentation

[Journal Article] A Theoretical Study on Rate Constants of Excited State Proton Transfer Reaction in Anthracene-Urea Derivatives2023
- Author(s)
  Onozawa Shu、Nishimura Yoshinobu、Matsui Toru
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 96 Issue: 3 Pages: 215-222
- DOI
  10.1246/bcsj.20220332
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05381
[Journal Article] Factor analysis of error in oxidation potential calculation: A machine learning study2022
- Author(s)
  Kanamaru Yuki、Matsui Toru
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 43 Issue: 22 Pages: 1504-1512
- DOI
  10.1002/jcc.26953
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05381
[Journal Article] A Practical Prediction of LogPo/w through Semiempirical Electronic Structure Calculations with Dielectric Continuum Model2021
- Author(s)
  Takahashi Teruyuki、Matsui Toru、Hengphasatporn Kowit、Shigeta Yasuteru
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 94 Issue: 7 Pages: 1807-1814
- DOI
  10.1246/bcsj.20210035
- NAID
  130008076923
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05381
[Journal Article] Unique photophysical properties of 1,8-naphthalimide derivatives: generation of semi-stable radical anion species by photo-induced electron transfer from a carboxy group2021
- Author(s)
  H. Izawa, F. Yasufuku, T. Nokami, S. Ifuku, H. Saimoto, T. Matsui, K. Morihashi, M. Sumita
- Journal Title
  
  ACS Omega
  
  Volume: 6 Issue: 20 Pages: 13456-13465
- DOI
  10.1021/acsomega.1c01685
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K05616, KAKENHI-PROJECT-17H03034, KAKENHI-PROJECT-19K05381
[Journal Article] Recent Developments of Computational Methods for pKa Prediction Based on Electronic Structure Theory with Solvation Models2021
- Author(s)
  Fujiki Ryo、Matsui Toru、Shigeta Yasuteru、Nakano Haruyuki、Yoshida Norio
- Journal Title
  
  J
  
  Volume: 4 Issue: 4 Pages: 849-864
- DOI
  10.3390/j4040058
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K05036, KAKENHI-PROJECT-19K05381, KAKENHI-PROJECT-21K04980
[Journal Article] Estimation of Acid Dissociation Constants (pKa) of N-Containing Heterocycles in DMSO and Transferability of Gibbs Free Energy in Different Solvent Conditions2020
- Author(s)
  Hengphasatporn Kowit、Matsui Toru、Shigeta Yasuteru
- Journal Title
  
  Chemistry Letters
  
  Volume: 49 Issue: 3 Pages: 307-310
- DOI
  10.1246/cl.190946
- NAID
  130007805919
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05381, KAKENHI-PUBLICLY-19H05047
[Journal Article] Theoretical Analysis of Fluorescence Behaviors of the Excited State Proton Transfer in Anthracene-Urea Derivative2019
- Author(s)
  小野澤周, 松井亨, 西村賢宣, 守橋健二
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 18 Issue: 5 Pages: 254-256
- DOI
  10.2477/jccj.2019-0050
- NAID
  130007830253
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H03034
[Journal Article] Theoretical study on naphthobischalcogenadiazole conjugated polymer systems and C61 derivative as organic photovoltaic semiconductors2018
- Author(s)
  akehiro Fujita; Toru Matsui; Masato Sumita; Yutaka Imamura; Kenji Morihashi
- Journal Title
  
  Chem. Phys. Lett.
  
  Volume: 693 Pages: 188-193
- DOI
  10.1016/j.cplett.2018.01.021
- NAID
  120007134413
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-17H05380, KAKENHI-PROJECT-17H03034
[Journal Article] Molecular Dynamics and Quantum Chemical Approach for the Estimation of an Intramolecular Hydrogen Bond Strength in Okadaic Acid2018
- Author(s)
  T. Matsui, K. Yamamoto, T. Fujita, K. Morihashi
- Journal Title
  
  The Journal of Physical Chemistry B
  
  Volume: 122 Issue: 29 Pages: 7233-7242
- DOI
  10.1021/acs.jpcb.8b03272
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H03034
[Journal Article] A Theoretical Guideline for Designing Effective Host Materials Based on 4, 4′-bis (9-carbazolyl)-1, 1′-biphenyl Derivatives for Blue Phosphorescent Devices2017
- Author(s)
  Tomohiro Oshiyama, Noriko Yasukawa, Hiroshi Kita, Toru Matsui, Masato Sumita, Kenji Morihashi
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 90 Issue: 2 Pages: 195-204
- DOI
  10.1246/bcsj.20160345
- NAID
  130005332358
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26810012
[Journal Article] Assessment of Methodology and Chemical Group Dependences in the Calculation of the pKa for Several Chemical Groups2017
- Author(s)
  Matsui Toru、Shigeta Yasuteru、Morihashi Kenji
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 13 Issue: 10 Pages: 4791-4803
- DOI
  10.1021/acs.jctc.7b00587
- Peer Reviewed
- Data Source
  KAKENHI-INTERNATIONAL-15K21719, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-17H03034
[Journal Article] Theoretical study on relationship between spin structure and electron conductivity of one-dimensional tri-nickel (II) complex2017
- Author(s)
  Yasutaka Kitagawa, Mizuki Asaoka, Yoshiki Natori, Koji Miyagi, Rena Teramoto, Toru Matsui, Yasuteru Shigeta, Mitsutaka Okumura, Masayoshi Nakano
- Journal Title
  
  Polyhedron
  
  Volume: 印刷中 Pages: 125-131
- DOI
  10.1016/j.poly.2017.02.020
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26410093, KAKENHI-PROJECT-26810012, KAKENHI-PLANNED-26107004, KAKENHI-PROJECT-15KT0143
[Journal Article] Theoretical Estimation of Effect of Conjugation Length and Side Chain in Charge Recombination Process in Poly (para-phenylenevinylene)2016
- Author(s)
  Koharu Aikawa, Toru Matsui, Kenji Morihashi
- Journal Title
  
  Chemistry Letters
  
  Volume: 45 Issue: 6 Pages: 628-630
- DOI
  10.1246/cl.160157
- NAID
  130005155025
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26810012
[Journal Article] Solvation Energy of Proton: a Consistent Calculation Schemefor Acid Dissociation Constantsand Standard Hydrogen Electrode Potentials2016
- Author(s)
  松井亨, 喜屋武茜, 庄司光男, 重田育照
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 15 Issue: 5 Pages: 184-191
- DOI
  10.2477/jccj.2016-0022
- NAID
  130005239564
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26810012
[Journal Article] Analyses on Thiophene-Based Donor-Acceptor Semiconducting Polymers toward Designing Optical and Conductive Properties: A Theoretical Perspective2016
- Author(s)
  Toru Matsui, Yutaka Imamura, Itaru Osaka, Kazuo Takimiya, Takahito Nakajima
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 120 Issue: 15 Pages: 8305-8314
- DOI
  10.1021/acs.jpcc.5b05794
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26810012
[Journal Article] Accurate Standard Hydrogen Electrode Potential and Applications to the Redox Potentials of Vitamin C and NAD/NADH2015
- Author(s)
  T. Matsui, Y. Kitagawa, M. Okumura, Y. Shigeta
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 119 Issue: 2 Pages: 369-376
- DOI
  10.1021/jp508308y
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-26107004, KAKENHI-PROJECT-26810012, KAKENHI-PROJECT-26410093
[Journal Article] DFT and TD-DFT studies of electronic structures and one-electron excitation states of a cyanide-bridged molecular square complex2015
- Author(s)
  Yasutaka Kitagawa, Mizuki Asaoka, Koji Miyagi, Toru Matsui, Masayuki Nihei, Hiroshi Oshio, Mitsutaka Okumura, Masayoshi Nakan
- Journal Title
  
  Inorganic Chemistry Frontiers
  
  Volume: 2 Issue: 8 Pages: 771-779
- DOI
  10.1039/c5qi00091b
- Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410093, KAKENHI-PROJECT-26810012, KAKENHI-PROJECT-25248014, KAKENHI-PROJECT-26288021, KAKENHI-PLANNED-26107004
[Journal Article] A density functional study on pK_a, of small polyprotic molecules2014
- Author(s)
  Takeshi Baba, Toru Matsui, Katsumasa Kamiya, Masayoshi Nakano, and Yasuteru Shigeta
- Journal Title
  
  Int. J. Quantum Chem
  
  Volume: (印刷中) Issue: 17 Pages: 1128-1134
- DOI
  10.1002/qua.24631
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-13J03029, KAKENHI-PROJECT-25248007, KAKENHI-PROJECT-26810012
[Presentation] Interaction analysis of FIV protease and HIV-1 protease inhibitors using the FMO method2023
- Author(s)
  Shohei Osaki, Toru Matsui
- Organizer
  The 10th meeting of the Asia Pacific Association of Theoretical and Computational Chemists
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05381
[Presentation] Machine Learning Assisted DFT Calculation Using Solvation Model2023
- Author(s)
  Toru Matsui
- Organizer
  The 10th meeting of the Asia Pacific Association of Theoretical and Computational Chemists
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05381
[Presentation] 荷電系において溶媒和モデルが記述する溶媒静電ポテンシャルの解析2023
- Author(s)
  金丸雄基, 松井亨
- Organizer
  日本化学会第103春季年会
- Data Source
  KAKENHI-PROJECT-19K05381
[Presentation] 酸化還元電位算出における誤差の機械学習を用いた要因解析2022
- Author(s)
  金丸雄基, 松井亨
- Organizer
  日本化学会第102春季年会
- Data Source
  KAKENHI-PROJECT-19K05381
[Presentation] FIVプロテアーゼとHIV-1プロテアーゼ阻害剤の相互作用解析2022
- Author(s)
  大﨑象平, 松井亨
- Organizer
  日本化学会第102春季年会
- Data Source
  KAKENHI-PROJECT-19K05381
[Presentation] 酸化電位算出における誤差の機械学習を用いた要因解析2022
- Author(s)
  金丸雄基, 松井亨
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-19K05381
[Presentation] Theoretical Analysis on Fluorescent Processes in Complexes of 1,8-Naphthalimide Derivative with Several Carboxylates2021
- Author(s)
  K. Morihashi, T. Matsui, M. Sumita, H. Izawa
- Organizer
  PacifiChem2021
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] 酸化還元電位算出における誤差の機械学習を用いた要因解析2021
- Author(s)
  金丸雄基, 松井亨
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-19K05381
[Presentation] Prediction of hole mobilities using modified Marcus equation2020
- Author(s)
  KAWAGUCHI, Yukari; MORIHASHI, Kenji; MATSUI, Toru
- Organizer
  日本化学会第100回春季年会　（東京理科大学　野田キャンパス）
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] A computational approach to the intercalation of naphthal imido derivative into DNA2020
- Author(s)
  IWAI, Yudai; MATSUI, Toru; OTSUKA, Takao; SUMITA, Masato; IZAWA, Hironori; MORIHASHI, Kenji
- Organizer
  日本化学会第100回春季年会　（東京理科大学　野田キャンパス）
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] 機械学習による溶媒和モデルの半経験的改善法2020
- Author(s)
  登坂　夏名、尾﨑　大和、松井　亨
- Organizer
  日本化学会第100春季年会
- Data Source
  KAKENHI-PROJECT-19K05381
[Presentation] A semiempirical improvement of solvent model by machine learning2020
- Author(s)
  TOSAKA, Kana; OSAKI, Yamato; MATSUI, Toru; MORIHASHI, Kenji
- Organizer
  日本化学会第100回春季年会　（東京理科大学　野田キャンパス）
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] A theoretical study on molecular cluster of citric acid2020
- Author(s)
  TANAKA, Yoshihiro; MATSUI, Toru; OTSUKA, Takao; SUMITA, Masato; IZAWA, Hironori; MORIHASHI, Kenji
- Organizer
  日本化学会第100回春季年会　（東京理科大学　野田キャンパス）
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] Computational chemical verification of activation of [R3Si-IPr] -Pd catalyst precursor in Suzuki-Miyaura cross-coupling reaction2020
- Author(s)
  FUJIWARA, Jun; OSAKI, Yamato; VLADIMIR YA., Lee; MATSUI, Toru; MORIHASHI, Kenji
- Organizer
  日本化学会第100回春季年会　（東京理科大学　野田キャンパス）
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] Theoretical analysis of hydrogen bond between anthracene-urea derivative and acetate anion2019
- Author(s)
  ONOZAWA, Shu; MORIHASHI, Kenji; MATSUI, Toru
- Organizer
  日本化学会第99回春季年会
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] 長距離補正密度汎関数による領域分割パラメータの簡便な決定法2019
- Author(s)
  尾﨑　大和、藤田　健宏、松井　亨、寺山　慧、隅田　真人、守橋　健二
- Organizer
  第13回分子科学討論会
- Data Source
  KAKENHI-PROJECT-19K05381
[Presentation] 長距離補正密度汎関数における領域分割パラメータの簡便な決定法2019
- Author(s)
  尾﨑大和，藤田健宏，松井亨，寺山慧，隅田真人，守橋健二
- Organizer
  第13回分子科学討論会2019名古屋　名古屋大学（東山キャンパス）
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] Determination of the range separation parameter in LC-ω PBE using machine learning2019
- Author(s)
  OSAKI, Yamato; FUJITA, Takehiro; MATSUI, Toru; SUMITA, Masato; MORIHASHI, Kenji
- Organizer
  日本化学会第99回春季年会
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] アントラセン-ウレア誘導体と酢酸イオンとの水素結合の理論的解析2019
- Author(s)
  小野澤周，松井亨, 西村賢宣, 守橋健二
- Organizer
  日本コンピュータ化学会2019秋季年会　広島JMSアステールプラザ
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] アントラセン-ウレア誘導体と酢酸イオンとの水素結合の理論的解析2019
- Author(s)
  小野澤周，松井亨, 西村賢宣, 守橋健二
- Organizer
  第13回分子科学討論会2019名古屋　名古屋大学（東山キャンパス）
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] 長距離補正密度汎関数における領域分割パラメータの簡便な決定法2019
- Author(s)
  尾﨑大和，藤田健宏，松井亨，寺山慧，隅田真人，守橋健二
- Organizer
  日本コンピュータ化学会2019秋季年会　広島JMSアステールプラザ
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] 分子動力学法によるクエン酸のプロトン化状態の解析2018
- Author(s)
  田中　良拓、松井亨、守橋健二
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] 水溶液中におけるクエン酸のプロトン化状態の解析2018
- Author(s)
  田中良拓、松井亨、守橋健二
- Organizer
  第98回日本化学会春季年会（日本大学理工学部　船橋キャンパス）
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] カルボン酸塩・ナフタルイミド化合物の光誘起過程の理論的解析2018
- Author(s)
  大高秀仁、大塚教雄、隅田真人、井澤浩則、松井亨、守橋健二
- Organizer
  第98回日本化学会春季年会（日本大学理工学部　船橋キャンパス）
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] カルボン酸塩・ナフタルイミド化合物錯体の光誘起過程の理論的解析2017
- Author(s)
  大高秀仁、大塚教雄、隅田真人、井澤浩則、松井亨、守橋健二
- Organizer
  第３１回　分子シミュレーション討論会　金沢商工会議所
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] 有機薄膜太陽電池材料の電荷移動状態の安定性と反応速度定数についての理論的研究 (優秀ポスター賞受賞）2017
- Author(s)
  藤田健宏、松井亨、守橋健二
- Organizer
  第７回CSJ化学フェスタ2017 船堀
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] 銀イオン錯体内における金属-金属結合の密度汎関数理論による解析2017
- Author(s)
  添田皓輝、松井亨、守橋健二
- Organizer
  第３１回　分子シミュレーション討論会　金沢商工会議所
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] オカダ酸における分子内水素結合の環境依存性に関する理論的研究2017
- Author(s)
  山本　夏菜子・松井　亨・守橋　健二
- Organizer
  日本化学会第97春季年会
- Place of Presentation
  慶応義塾大学日吉キャンパス, 神奈川県横浜市
- Data Source
  KAKENHI-PROJECT-26810012
[Presentation] QM/MM計算によるクラスA β-ラクタマーゼとベンジルペニシリンのアシル化反応における塩橋内プロトン移動を考慮した新たな反応経路の提案2017
- Author(s)
  駒井　美保・松井　亨・守橋　健二
- Organizer
  日本化学会第97春季年会
- Place of Presentation
  慶応義塾大学日吉キャンパス, 神奈川県横浜市
- Data Source
  KAKENHI-PROJECT-26810012
[Presentation] 制限付き密度汎関数理論を用いた有機太陽電池材料の電荷分離状態の安定性と電子移動速度の研究2017
- Author(s)
  藤田　健宏・松井　亨・守橋　健二
- Organizer
  日本化学会第97春季年会
- Place of Presentation
  慶応義塾大学日吉キャンパス, 神奈川県横浜市
- Data Source
  KAKENHI-PROJECT-26810012
[Presentation] 有機薄膜太陽電池材料の電荷移動状態の安定性と反応速度定数についての理論的研究2017
- Author(s)
  藤田健宏、松井亨、守橋健二
- Organizer
  第１１回　分子科学討論会　（東北大学）
- Data Source
  KAKENHI-PROJECT-17H03034
[Presentation] 長距離補正を加えた密度汎関数理論による酸化還元電位の算出2015
- Author(s)
  松井亨、宋鍾元、平尾公彦、中嶋隆人
- Organizer
  日本化学会第95春季年会
- Place of Presentation
  日本大学 (千葉県船橋市)
- Year and Date
  2015-03-29
- Data Source
  KAKENHI-PROJECT-26810012
[Presentation] 有機薄膜太陽電池の設計に向けた　軌道エネルギー計算法の提案2015
- Author(s)
  松井　亨
- Organizer
  次世代太陽電池の動向と展望-実験と理論の連携-
- Place of Presentation
  首都大学東京秋葉原キャンパス (東京都千代田区)
- Year and Date
  2015-09-29
- Invited
- Data Source
  KAKENHI-PROJECT-26810012
[Presentation] A novel computational scheme to estimate the redox potential of metal complex2014
- Author(s)
  Toru Matsui
- Organizer
  64th Japanese Society of Complex Chemistry, Conference Symposium
- Place of Presentation
  中央大学 (東京都文京区)
- Year and Date
  2014-09-18
- Invited
- Data Source
  KAKENHI-PROJECT-26810012

1. Morihashi Kenji (90182261)

# of Collaborated Projects: 1 results

# of Collaborated Products: 19 results
2. 大塚教雄 (30465968)

# of Collaborated Projects: 1 results

# of Collaborated Products: 4 results
3. 井澤浩則 (50643235)

# of Collaborated Projects: 1 results

# of Collaborated Products: 6 results
4. MATSUI Fumihiko

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
5. IMAMURA Yutaka

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
6. ASAOKA Mizuki

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
7. MIYAGI Koji

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
8. TERAMOTO Rena

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
9. NATORI Yoshiki

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
10. NAKANO Masayoshi

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
11. 北河康隆

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
12. 重田育照

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
13. 中野晴之

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Matsui Toru 松井 亨

MATSUI Toru 松井 亨

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Development of pKa estimation scheme for polar amino acids considering protein conformational fluctuationPrincipal Investigator

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A theoretical study for the improvement of solvation model by machine learningPrincipal Investigator

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Integrated Theoretical and Experimental Studies on Characteristic Photo-induced Properties of Novel Naphthalimide Derivatives

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A Computational study on the correlation between out-of-plane mode of heme and redox potentialPrincipal Investigator

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[Journal Article] A Theoretical Study on Rate Constants of Excited State Proton Transfer Reaction in Anthracene-Urea Derivatives2023

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[Journal Article] Factor analysis of error in oxidation potential calculation: A machine learning study2022

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[Journal Article] A Practical Prediction of LogPo/w through Semiempirical Electronic Structure Calculations with Dielectric Continuum Model2021

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[Journal Article] Unique photophysical properties of 1,8-naphthalimide derivatives: generation of semi-stable radical anion species by photo-induced electron transfer from a carboxy group2021

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[Journal Article] Recent Developments of Computational Methods for pKa Prediction Based on Electronic Structure Theory with Solvation Models2021

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[Journal Article] Estimation of Acid Dissociation Constants (pKa) of N-Containing Heterocycles in DMSO and Transferability of Gibbs Free Energy in Different Solvent Conditions2020

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[Journal Article] Theoretical Analysis of Fluorescence Behaviors of the Excited State Proton Transfer in Anthracene-Urea Derivative2019

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[Journal Article] Theoretical study on naphthobischalcogenadiazole conjugated polymer systems and C61 derivative as organic photovoltaic semiconductors2018

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[Journal Article] Molecular Dynamics and Quantum Chemical Approach for the Estimation of an Intramolecular Hydrogen Bond Strength in Okadaic Acid2018

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Matsui Toru 松井亨

MATSUI Toru 松井亨