| Understanding single-molecule parallel circuits on the basis of frontier orbital theory K Okazawa, Y Tsuji, K Yoshizawa The Journal of Physical Chemistry C 124 (5), 3322-3331, 2020 | 14 | 2020 |
| Electronic Origin of Catalytic Activity of TiH2 for Ammonia Synthesis Y Tsuji, K Okazawa, Y Kobayashi, H Kageyama, K Yoshizawa The Journal of Physical Chemistry C 125 (7), 3948-3960, 2021 | 13 | 2021 |
| Mechanical Control of Molecular Conductance and Diradical Character in Bond Stretching and π-Stack Compression Y Tsuji, K Okazawa, B Chen, K Yoshizawa The Journal of Physical Chemistry C 124 (42), 22941-22958, 2020 | 8 | 2020 |
| Frontier Orbital Views of Stacked Aromaticity K Okazawa, Y Tsuji, K Yoshizawa The Journal of Physical Chemistry A 127 (22), 4780-4786, 2023 | 7 | 2023 |
| Exploring the optimal alloy for nitrogen activation by combining Bayesian optimization with density functional theory calculations K Okazawa, Y Tsuji, K Kurino, M Yoshida, Y Amamoto, K Yoshizawa ACS omega 7 (49), 45403-45408, 2022 | 6 | 2022 |
| Molecular understanding of adhesion of epoxy resin to graphene and graphene oxide surfaces in terms of orbital interactions A Shrestha, Y Sumiya, K Okazawa, T Uwabe, K Yoshizawa Langmuir 39 (15), 5514-5526, 2023 | 5 | 2023 |
| Hückel Molecular Orbital Analysis for Stability and Instability of Stacked Aromatic and Stacked Antiaromatic Systems Y Tsuji, K Okazawa, K Yoshizawa The Journal of Organic Chemistry 88 (21), 14887-14898, 2023 | 4 | 2023 |
| Photo-Induced Ring-Opening Reaction of Flav-3-en-2-ol Monitored by Time-Resolved Infrared Spectroscopy M Kondoh, A Sakuta, K Okazawa, D Akase, M Aida, T Ishibashi The Journal of Physical Chemistry B 123 (40), 8499-8504, 2019 | 4 | 2019 |
| Topology dictates magnetic and conductive properties of a π-stacked system: insight into possible coexistence of magnetic and conductive systems Y Tsuji, K Okazawa, K Kurino, K Yoshizawa The Journal of Physical Chemistry C 126 (6), 3244-3256, 2022 | 3 | 2022 |
| Graph-theoretical exploration of the relation between conductivity and connectivity in heteroatom-containing single-molecule junctions K Okazawa, Y Tsuji, K Yoshizawa The Journal of Chemical Physics 156 (9), 2022 | 2 | 2022 |
| Time-resolved infrared study of photo-induced ring-closure reaction of trans-2-hydroxychalcone M Kondoh, C Takizawa, K Okazawa, D Akase, M Aida, T Ishibashi Journal of Photochemistry and Photobiology A: Chemistry 389, 112280, 2020 | 2 | 2020 |
| Exploring Metal Nanocluster Catalysts for Ammonia Synthesis Using Informatics Methods: A Concerted Effort of Bayesian Optimization, Swarm Intelligence, and First-Principles … Y Tsuji, Y Yoshioka, K Okazawa, K Yoshizawa ACS omega 8 (33), 30335-30348, 2023 | 1 | 2023 |
| Extraordinary Acceleration of an Electrophilic Reaction Driven by the Polar Surface of 2D Aluminosilicate Nanosheets N L. Torad, Y Tsuji, A Alowasheeir, M Momotake, K Okazawa, ... Small 19 (11), 2205857, 2023 | 1 | 2023 |
| Mechanistic origins of accelerated hydrogenation of mixed alkylaromatics by synchronised adsorption over Rh/SiO 2 N Cherkasov, S Asano, Y Tsuji, K Okazawa, K Yoshizawa, H Miyamura, ... Reaction Chemistry & Engineering 8 (6), 1341-1348, 2023 | 1 | 2023 |
| ヘテロ原子を含んだ単分子接合の導電性に関するグラフ理論的研究 岡澤一樹， 辻雄太， 吉澤一成 Journal of Computer Chemistry, Japan 19 (4), 158-160, 2020 | 1 | 2020 |
| 芳香族単分子並列回路の電気伝導度とフロンティア軌道の関係 岡澤一樹， 辻雄太， 吉澤一成 Journal of Computer Chemistry, Japan 18 (5), 227-229, 2019 | 1 | 2019 |
| A machine learning approach to designing tough and degradable polyamides based on multiblock structures Y Amamoto, C Koganemaru, K Kojio, A Takahara, S Yamamoto, ... | | 2023 |
| Complexation‐Triggered Fluctuation of π‐Conjugation on an Antiaromatic Dicyanoanthracene Dianion T Imagawa, K Okazawa, K Yoshizawa, H Yoshida, R Shang, Y Yamamoto, ... Chemistry–A European Journal 29 (70), e202302550, 2023 | | 2023 |
| 積層芳香族性を有する π スタック単分子接合の伝導特性に関する理論的研究 岡澤一樹， 辻雄太， 吉澤一成 Journal of Computer Chemistry, Japan 21 (4), 87-89, 2022 | | 2022 |
| フロンティア軌道論に基づく単分子並列回路の電気伝導の理論的研究 岡澤一樹， 辻雄太， 吉澤一成 ケモインフォマティクス討論会予稿集 第 42 回ケモインフォマティクス討論会 東京, 2B05, 2019 | | 2019 |
Kazunari YoshizawaInstitute for Materials Chemistry and Engineering, Kyushu UniversityBestätigte E-Mail-Adresse bei ms.ifoc.kyushu-u.ac.jp
