ホーム > 松井 亨/ Matsui, Toru
松井 亨
Matsui, Toru
オープンアクセス版の論文は「つくばリポジトリ」で読むことができます。
-
1.
π-conjugation effects on excited-state intermolecular proton-transfer reactions of anthracene–urea derivatives in the presence of acetate anions
Tachibanaki, Atsushi; Matsui, Toru; Nishimura; Yoshinobu
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 26: 19176 (2024)
-
2.
高等学校における観点別学習状況の評価と高大接続 ―先進県と茨城県内高等学校への聞き取り調査から―
大谷, 奨; 島田康行; 本多正尚; 松井亨
国立大学入学者選抜研究連絡協議会 大学入試研究ジャーナル 24 (2024)
-
3.
Suzuki-Miyaura cross-coupling reaction catalyzed by [R3Si-IPr]Pd complexes: a computational study
Matsui, Toru; Fujiwara, Jun; Fukaya, Norihisa; Lee, Vladimir Ya
MENDELEEV COMMUNICATIONS 34: 34 (2024)
-
4.
Assessment of the applicability of the LFC/3D-RISM-SCF scheme for pKa prediction in methanol solutions
Ryo Fujiki; Toru Matsui; Yasuteru Shigeta; Norio YoshidaHaruyuki Nakano
Chemistry Letters 53: (2023)
-
5.
Koopmans’ Theorem-Compliant Long-Range Corrected (KTLC) Density Functional Mediated by Black-Box Optimization and Data-Driven Prediction for Organic Molecules
Kei Terayama; Yamato Osaki; Takehiro Fujita; Ryo Tamura (+3 著者) Masato Sumita
Journal of Chemical Theory and Computation 19: 6770 (2023)
-
6.
A Theoretical Study on Rate Constants of Excited State Proton Transfer Reaction in Anthracene-Urea Derivatives
Onozawa, Shu; Nishimura, Yoshinobu; Matsui, Toru
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 96: 215 (2023)
-
7.
Factor analysis of error in oxidation potential calculation: A machine learning study
Yuki, Kanamaru; Toru, Matsui
JOURNAL OF COMPUTATIONAL CHEMISTRY 43: 1504 (2022)
-
8.
Recent Developments of Computational Methods for pKa Prediction Based on Electronic Structure Theory with Solvation Models
Ryo Fujiki; Toru Matsui; Yasuteru Shigeta; Haruyuki NakanoNorio Yoshida
J 4: 849 (2021)
-
9.
A practical prediction of LogP
o/w through semiempirical electronic structure calculations with dielectric continuum model Teruyuki Takahashi; Toru Matsui; Kowit Hengphasatporn; Yasuteru ShigetaBulletin of the Chemical Society of Japan 94: 1807 (2021) -
10.
Unique Photophysical Properties of 1,8-Naphthalimide Derivatives: Generation of Semi-stable Radical Anion Species by Photo-Induced Electron Transfer from a Carboxy Group
Hironori Izawa; Fumika Yasufuku; Toshiki Nokami; Shinsuke Ifuku (+3 著者) Masato Sumita
ACS Omega 6: 13456 (2021)
-
11.
アントラセン-ウレア誘導体の励起状態プロトン移動における 蛍光挙動に関する解析
小野澤, 周; 松井, 亨; 西村, 賢宣; 守橋 健二
Journal of Computer Chemistry, Japan 18: 254 (2020)
-
12.
Characterization of Structure and Catalytic Activity of a Complex between Heme and an All Parallel-stranded Tetrameric G-quadruplex Formed from DNA/RNA Chimera Sequence d(TTA)r(GGG)dT
Kosuke, Hayasaka; Tomokazu, Shibata; Aya, Sugahara; Atsuya, Momotake (+4 著者) Yasuhiko, Yamamoto
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 93: 621 (2020)
-
13.
Estimation of acid dissociation constants (PK
A ) of N-containing heterocycles in DMSO and transferability of Gibbs free energy in different solvent conditions Kowit Hengphasatporn; Toru Matsui; Yasuteru ShigetaChemistry Letters 49: 307 (2020) -
14.
A Density Functional Theory-Based Scheme to Compute the Redox Potential of a Transition Metal Complex: Applications to Heme Compound
Matsui, Toru; Song, Jong-Won
Molecules (Basel, Switzerland) 24: (2019)
-
15.
The Study of the Octanol-Water Partition Coefficient by the Computational Chemistry Method
Koichi KODAMA; Arwan SYAH; Kazutomo KAWAGUCHI; Toru MATSUI (+1 著者) Yasuteru SHIGETA
Journal of Computer Chemistry, Japan 18: 241 (2019)
-
16.
A Theoretical Study on Redox Potential and pK(a) of [2Fe-25] Cluster Model from Iron-Sulfur Proteins
Kurniawan Isman; Kawaguehi Kazutomo; Shoji Mitsuo; Matsui Toru (+1 著者) Nagao Hidemi
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 91: 1451 (2018) Semantic Scholar
-
17.
A computational scheme of pK values based on the three-dimensional reference interaction site model self-consistent field theory coupled with the linear fitting correction scheme
Fujiki, Ryo; Kasai, Yukako; Seno, Yuki; Matsui, Toru (+2 著者) Nakano, Haruyuki
Physical chemistry chemical physics : PCCP 20: 27272 (2018)
-
18.
A computational scheme of pKa values based on the three-dimensional reference interaction site model self-consistent field theory coupled with the linear fitting correction scheme.
Fujiki R; Kasai Y; Seno Y; Matsui T (+2 著者) Nakano H
Physical chemistry chemical physics : PCCP 20: 27272 (2018) Semantic Scholar
-
19.
Molecular Dynamics and Quantum Chemical Approach for the Estimation of an Intramolecular Hydrogen Bond Strength in Okadaic Acid
Matsui Toru; Yamamoto Kanako; Fujita Takehiro; Morihashi Kenji
JOURNAL OF PHYSICAL CHEMISTRY B 122: 7233 (2018) Semantic Scholar
-
20.
大学入学者選抜実施要項とその変遷に関する考察―新制大学発足時から大学共通第1次学力試験導入までを中心に―
大谷, 奨; 島田康行; 本多正尚; 松井亨白川友紀
大学入試研究ジャーナル 105 (2018)
書籍等出版物情報はまだありません。
-
21.
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
大﨑 象平; 松井, 亨
日本化学会第102春季年会
-
22.
Machine Learning Assisted DFT Calculation Using Solvation Model
Matsui, Toru
The 10th meeting of the Asia Pacific Association of Theoretical and Computational Chemists 招待有り
-
23.
Interaction analysis of FIV protease and HIV-1 protease inhibitors using the FMO method
Osaki, Shohei; Matsui, Toru
The 10th meeting of the Asia Pacific Association of Theoretical and Computational Chemists
-
24.
Mechanistic Studies of [2+2]/[3+2] Cycloaddition Reactions Between 1,1-Difluoroallenes and Aldehydes
宮﨑, 大輔; 渡邉夏実; 松井亨; 市川, 淳士; 渕辺, 耕平
第70回 有機金属化学討論会
-
25.
Analysis of solvent electrostatic potential described by solvation models in charged systems
Kanamaru, Yuki; Yoshida, Norio; MATSUI, Toru
The 5th conference of Theory and Applications of Computational Chemistry (TACC) 2023
-
26.
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
金丸 雄基; 吉田 紀生; 松井, 亨
第17回分子科学討論会
-
27.
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
金丸 雄基; 吉田 紀生; 松井, 亨
第11回CSJフェスタ
-
28.
長距離補正密度汎関数理論を用いた有機薄膜太陽電池材料となる高分子の軌道準位の計算
原田 秦冴; 松井, 亨
第17回分子科学討論会
-
29.
フラグメント分子軌道法と制約密度汎関数理論を組み合わせたFMO-CDFT法の開発
大﨑 象平; 小林 正人; 武次 徹也; 松井, 亨
日本化学会第102春季年会
-
30.
ナフタルイミド誘導体とカルボン酸クラスタの光物性の解析
渡邉 夏実; 金丸 雄基; 松井, 亨; 隅田 真人; 井澤 浩則; 守橋 健二
日本化学会第102春季年会
-
31.
金(I)触媒による1,1-ジフルオロアレンとアルデヒドの[2+2]/[3+2]付加環化反応: 反応機構に関する理論的研究
宮﨑, 大輔; 渡邉, 夏実; 松井, 亨; 市川, 淳士; 渕辺, 耕平
第47回 フッ素化学討論会
知財情報はまだありません。
580 total views