Publication

This page lists papers published as a result of Matsui's activities with members of our laboratory. If you would like to know more about Matsui's activities, please visit Matsui's personal page.

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Peer Reviewed Paper 

1. T. Matsui*, J. Fujiwara, N. Fukaya and V. Ya. Lee*, "Suzuki-Miyaura cross-coupling reaction catalyzed by [R3Si-IPr]Pd complexes: a computational study", Mendeleev Commun. 34, 1-5 (2024).

2. R. Fujiki, T. Matsui, Y. Shigeta, H. Nakano and N. Yoshida*, "Assessment of the Applicability of the LFC/3D-RISM-SCF Scheme for pKa Prediction in Methanol Solutions", Chemistry Letters, accepted.

3. K. Terayama, Y. Osaki, T. Fujita, R. Tamura, M. Naito, K. Tsuda*, T. Matsui* and M. 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, 19, 6770-6781 (2023).

4. S. Onozawa, Y. Nishimura and T. Matsui*, "A Theoretical Study on Rate Constants of Excited State Proton Transfer Reaction in Anthracene-Urea Derivative ", Bulletin of the Chemical Society of Japan, 96. 215-222 (2023). (Selected Paper)

5. Y. Kanamaru and T. Matsui* "Factor analysis of error in oxidation potential calculation: A machine learning study", Journal of Computational Chemistry, 43, 1504-1512 (2022). 

6. H. Izawa*, F. Yasufuku, T. Nokami, S. Ifuku, H. Saimoto, T. Matsui, K. Morihashi and M. Sumita , "Unique Photophysical Properties of 1,8-Naphthalimide Derivatives: Generation of Semi-stable Radical Anion Species by Photo-Induced Electron Transfer from a Carboxy Group", ACS Omega, 6, 13456–13465 (2021). Open Access

7. S. Onozawa, T. Matsui*, Y. Nishimura and K. Morihashi "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" (in Japanese), Journal of Computer Chemistry, Japan, 18, 254-256. (2020) Open Access 

8. T. Matsui*, K. Yamamoto, T. Fujita and K. Morihashi, "Molecular Dynamics and Quantum Chemical Approach for the Estimation of an Intramolecular Hydrogen Bond Strength in Okadaic Acid",  The Journal of Physical Chemistry B, 122, 7233-7242 (2018).

9. T. Fujita,  T. Matsui*, M. Sumita, Y. Imamura and K. Morihashi, "Theoretical study on naphthobischalcogenadiazole conjugated polymer systems and C61 derivative as organic photovoltaic semiconductors", Chemical Physics Letters, 693, 188-193. (2018). 

10. T. Matsui*, Y. Shigeta and K. Morihashi, "Assessment of Methodology and Chemical Group Dependences in the Calculation of the pKa for Several Chemical Groups",Journal of Chemical Theory and Computation, 13, 4791-4803 (2017).

11. T. Oshiyama*, N. Yasukawa, H. Kita, T. Matsui, M. Sumita and K. Morihashi*, "A Theoretical Guideline for Designing Effective Host Materials Based on 4, 4-bis (9-carbazolyl)-1, 1-biphenyl Derivatives for Blue Phosphorescent Devices", Bulletin of the Chemical Society of Japan, 90, 195-204 (2017).

12. K. Aikawa*, T. Matsui and K. Morihashi, "Theoretical Estimation of Effect of Conjugation Length and Side Chain in Charge Recombination Process in Poly (para-phenylenevinylene)", Chemistry Letters, 45, 628-630 (2016).