| 518件の論文が見つかりました。論文は出版年月日順に表示しています。（ヘルプ） | |
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| Shengzhou Li, Tsuyoshi Miyazaki, Ayako Nakata. Theoretical search for characteristic atoms in supported gold nanoparticles: a large-scale DFT study. Physical Chemistry Chemical Physics. 26 [30] (2024) 20251-20260 10.1039/d4cp01094a Open Access | |
| Tabee Jan, Shabnam Raheem, Aamir Hanif, Gaulthier Rydzek, G. M. Peerzada, Katsuhiko Ariga, Jin Shang, Masood Ahmad Rizvi. Adsorptive avidity of Prussian blue polypyrrole nanocomposite for elimination of water contaminants: a case study of malachite green and isoniazid. Physical Chemistry Chemical Physics. 26 [23] (2024) 16802-16820 10.1039/d4cp01053a | |
| Atsushi Togo, Atsuto Seko. On-the-fly training of polynomial machine learning potentials in computing lattice thermal conductivity. The Journal of Chemical Physics. 160 [21] (2024) 211001 10.1063/5.0211296 Open Access | |
| Aaditya Manjanath, Ryoji Sahara, Kaoru Ohno, Yoshiyuki Kawazoe. Non-adiabatic excited-state time-dependent GW molecular dynamics (TDGW) satisfying extended Koopmans’ theorem: An accurate description of methane photolysis. The Journal of Chemical Physics. 160 [18] (2024) 184102 10.1063/5.0202590 | |
| Aleksandra Khanina, Andrei Novitskii, Daria Pashkova, Andrei Voronin, Takao Mori, Vladimir Khovaylo. Thermoelectric properties of Bi1−xPbxCu1−xSeO oxyselenides. Physical Chemistry Chemical Physics. 26 [17] (2024) 13006-13011 10.1039/d4cp00308j | |
| Yanan Gao, Hitoshi Asahina, Shoichi Matsuda, Hidenori Noguchi, Kohei Uosaki. Nature of Li2O2 and its relationship to the mechanisms of discharge/charge reactions of lithium–oxygen batteries. Physical Chemistry Chemical Physics. 26 [18] (2024) 13655-13666 10.1039/d4cp00428k Open Access | |
| Katsuhiko Ariga, Jingwen Song, Kohsaku Kawakami. Molecular machines working at interfaces: physics, chemistry, evolution and nanoarchitectonics. Physical Chemistry Chemical Physics. 26 [18] (2024) 13532-13560 10.1039/d4cp00724g Open Access | |
| Xiong Wang, Zemeng Lin, Kenji Watanabe, Takashi Taniguchi, Wang Yao, Shuang Zhang, Xiaodong Cui. Near-field coupling of interlayer excitons in MoSe2/WSe2 heterobilayers to surface plasmon polaritons. The Journal of Chemical Physics. 160 [14] (2024) 141103 10.1063/5.0201383 | |
| Anh Khoa Augustin Lu, Jianbo Lin, Yasunori Futamura, Tetsuya Sakurai, Ryo Tamura, Tsuyoshi Miyazaki. Extraction of local structure differences in silica based on unsupervised learning. Physical Chemistry Chemical Physics. 26 [15] (2024) 11657-11666 10.1039/d3cp06298h Open Access | |
| Ken Takazawa, Jun-ichi Inoue. Hexagonal single crystals of perylene with patterned heterogeneous domains. Chemical Physics Letters. 843 (2024) 141232 10.1016/j.cplett.2024.141232 | |
