Co-authored paper on “SARS-CoV-2 Main Protease” with Dr. Yoshifumi Fukunishi (AIST) was published in Chem. Phys. Lett.

Co-authored paper on “SARS-CoV-2 Main Protease” with Dr. Yoshifumi Fukunishi (AIST) was published in Chem. Phys. Lett.

“Multiple protonation states in ligand-free SARS-CoV-2 main protease revealed by large-scale quantum molecular dynamics simulations”
J. Ono, U. Koshimizu, Y. Fukunishi, H. Nakai, Chem. Phys. Lett., 794, 139489 (2022).

Prof. Nakai’s Award Account for the Chemical Society of Japan for Creative Work (2015) was published in BCSJ

Professor Nakai’s Award Account for the Chemical Society of Japan for Creative Work ”Linear-Scaling Relativistic Quantum Chemistry for Encompassing the Periodic Table” (2015) was published in BCSJ

“Development of linear-scaling relativistic quantum chemistry covering the periodic table”
H. Nakai, Bull. Chem. Soc. Jpn., 94 (6), 1664-1681 (2021). (Award Account)

Professor Nakai: It took me a long time to write, but I was able to write the content related to the academic award properly.
Many references (235 references) have been cited to clarify their position in related fields.
The content is a little technical, but I hope you read it.

Co-authored paper on Blue-Phosphorescent Heteroatom Compound with Prof. T. Fukushima was selected as VIP of ACIE

Co-authored paper on “Element-substituted cyclobutadiene exhibiting high-energy blue phosphorescence” with Assoc. Prof. Y. Shoji (Tokyo Institute of Technology), Assoc. Prof. Y. Ikabata (Toyohashi University of Technology), Prof. C. Adachi (Kyushu University), Henrik Ottoson (Uppsala University), Prof. T. Ikoma (Niigata University), Prof. T. Fukushima (Tokyo Institute of Technology) was selected as VIP (Very Important Paper) of VIP of Angew. Chem. Int. Ed.

“Element-substituted cyclobutadiene exhibiting high-energy blue phosphorescence”
Y. Shoji, Y. Ikabata, I. Rhyzhii, R. Ayub, O. El Bakouri, T. Sato, Q. Wang, T. Miura, B. S. B. Karunathilaka, Y. Tsuchiya, C. Adachi, H. Ottosson, H. Nakai, T. Ikoma, T. Fukushima, Angew. Chem. Int. Ed., 60, 2-9 (2021).

Co-authored paper “Ce(111) Surface Modification” with Yasushi Sekine Lab. (Waseda University) was highlighted in JCP

Co-authored paper “Ce(111) Surface Modification” with Prof. Yasushi Sekine’s Lab. (Waseda University) was highlighted as top materials, surfaces, and interfaces papers in JCP

*according to the 2019 Journal Citation Report by Clarivate Analytics (owner of Web of Science)

“Heteroatom doping effects on interaction of H2O and CeO2 (111) surfaces studied using density functional theory: Key roles of ionic radius and dispersion”
K. Murakami, S. Ogo, A. Ishikawa, Y. Takeno, T. Higo, H. Tsuneki, H. Nakai, Y. Sekine, J. Chem. Phys., 152, 014707-1-7 (2020).