フォロー
Kazuki Okazawa
タイトル
引用先
引用先
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
142020
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
132021
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
82020
Frontier Orbital Views of Stacked Aromaticity
K Okazawa, Y Tsuji, K Yoshizawa
The Journal of Physical Chemistry A 127 (22), 4780-4786, 2023
72023
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
62022
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
52023
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
42023
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
42019
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
32022
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
22022
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
22020
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
12023
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
12023
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
12023
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
12020
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
12019
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
現在システムで処理を実行できません。しばらくしてからもう一度お試しください。
論文 1–20