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J-GLOBAL ID：201801005896077660 Update date: Apr. 04, 2025

MATSUI Toru

マツイトオル | MATSUI Toru

Research field (2)： Basic physical chemistry , Bio-, chemical, and soft-matter physics

Research keywords (2)： theoretical chemistry , computational chemistry

Papers (73)：

Tachibanaki, Atsushi, Matsui, Toru, Nishimura, Yoshinobu. π-conjugation effects on excited-state intermolecular proton-transfer reactions of anthracene-urea derivatives in the presence of acetate anions. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 2024. 26. 28. 19176-19186
大谷, 奨, 島田康行, 本多正尚, 松井亨. 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-. 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. 2024. 34. 24-30
Matsui, Toru, Fujiwara, Jun, Fukaya, Norihisa, Lee, Vladimir Ya. Suzuki-Miyaura cross-coupling reaction catalyzed by [R3Si-IPr]Pd complexes: a computational study. MENDELEEV COMMUNICATIONS. 2024. 34. 1. 34-38
Ryo Fujiki, Toru Matsui, Yasuteru Shigeta, Norio Yoshida, Haruyuki Nakano. Assessment of the applicability of the LFC/3D-RISM-SCF scheme for pKa prediction in methanol solutions. Chemistry Letters. 2023. 53. 1
Kei Terayama, Yamato Osaki, Takehiro Fujita, Ryo Tamura, Masanobu Naito, Koji Tsuda, Toru Matsui, Masato Sumita. Koopmans’ Theorem-Compliant Long-Range Corrected (KTLC) Density Functional Mediated by Black-Box Optimization and Data-Driven Prediction for Organic Molecules. Journal of Chemical Theory and Computation. 2023. 19. 19. 6770-6781

MISC (10)：

Toru Matsui, Yasutaka Kitagawa, Yasuteru Shigeta, Yasuteru Shigeta, Mitsutaka Okumura. A density functional theory based protocol to compute the redox potential of transition metal complex with the correction of pseudo-counterion: General theory and applications. Journal of Chemical Theory and Computation. 2013. 9. 2974-2980
Y. Shigeta, T. Matsui, Y. Nakanishi, Y. Kitagawa, M. Okumura. I-V characteristics of several modified DNA bases. AIP Conference Proceedings. 2012. 1504. 891-894
Toru Matsui, Hideaki Miyachi, Yasuteru Shigeta, Kimihiko Hirao. Metal-Assisted Proton Transfer in Guanine-Cytosine Pair: An Approach from Quantum Chemistry. Some Applications of Quantum Mechanics. 2012
Y. Kitagawa, T. Saito, Y. Kataoka, Y. Nakanishi, T. Matsui, T. Kawakami, M. Okumura, K. Yamaguchi. Vibrational frequency without Spin Contamination Error - Approximately Spin Projected Force Constant. INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009 (ICCMSE 2009). 2012. 1504. 879-882
馬場剛史, 神谷克政, 松井亨, 奥野克樹, BOERO Mauro, 根来誠司, 中野雅由, 重田育照. ナイロンオリゴマー分解酵素の反応機構に対するアミノ酸変異の効果. 分子科学討論会講演プログラム&要旨(Web). 2012. 6th. ROMBUNNO.1B18 (WEB ONLY)

Lectures and oral presentations (31)：

Gold(I)-Catalyzed [2+2]/[3+2] Cycloaddition Reactions of 1,1-Difluoroallenes with Aldehydes: Theoretical Studies on Their Reaction Mechanisms
(第47回フッ素化学討論会)
Mechanistic Studies of [2+2]/[3+2] Cycloaddition Reactions Between 1,1-Difluoroallenes and Aldehydes
(第70回有機金属化学討論会)
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
(日本化学会第102春季年会)
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
(日本化学会第102春季年会)
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
(第11回CSJフェスタ)

Education (2)：

Committee career (1)：

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