| 148 article(s) found. Sorted by publication dates. (Help) | |
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| Kota Murakami, Shuhei Ogo, Atsushi Ishikawa, Yuna Takeno, Takuma Higo, Hideaki Tsuneki, Hiromi Nakai, Yasushi Sekine. Heteroatom doping effects on interaction of H2O and CeO2 (111) surfaces studied using density functional theory: Key roles of ionic radius and dispersion. The Journal of Chemical Physics. 152 [1] (2020) 014707 10.1063/1.5138670 Open Access | |
| Ayako Nakata, Jack S. Baker, Shereif Y. Mujahed, Jack T. L. Poulton, Sergiu Arapan, Jianbo Lin, Zamaan Raza, Sushma Yadav, Lionel Truflandier, Tsuyoshi Miyazaki, David R. Bowler. Large scale and linear scaling DFT with the CONQUEST code. The Journal of Chemical Physics. 152 [16] (2020) 164112 10.1063/5.0005074 | |
| Yoshiharu Suzuki. Non-segregated crystalline state of dilute glycerol aqueous solution. The Journal of Chemical Physics. 152 [14] (2020) 144501 10.1063/5.0003787 | |
| Kota Murakami, Yuta Tanaka, Sasuga Hayashi, Ryuya Sakai, Yudai Hisai, Yuta Mizutani, Atsushi Ishikawa, Takuma Higo, Shuhei Ogo, Jeong Gil Seo, Hideaki Tsuneki, Hiromi Nakai, Yasushi Sekine. Governing factors of supports of ammonia synthesis in an electric field found using density functional theory. The Journal of Chemical Physics. 151 [6] (2019) 064708 10.1063/1.5111920 | |
| Mitsunori Kurahashi. Chemisorption of aligned O2 on Ag(110). The Journal of Chemical Physics. 151 [8] (2019) 084702 10.1063/1.5111057 | |
| Yoshiharu Suzuki. Effect of OH groups on the polyamorphic transition of polyol aqueous solutions. The Journal of Chemical Physics. 150 [22] (2019) 224508 10.1063/1.5095649 | |
| Atsuto Seko, Hiroyuki Hayashi, Isao Tanaka. Compositional descriptor-based recommender system for the materials discovery. The Journal of Chemical Physics. 148 [24] (2018) 241719 10.1063/1.5016210 | |
| Akira Takahashi, Atsuto Seko, Isao Tanaka. Linearized machine-learning interatomic potentials for non-magnetic elemental metals: Limitation of pairwise descriptors and trend of predictive power. The Journal of Chemical Physics. 148 [23] (2018) 234106 10.1063/1.5027283 | |
| James Kerfoot, Vladimir V. Korolkov, Anton S. Nizovtsev, Ryan Jones, Takashi Taniguchi, Kenji Watanabe, Igor Lesanovsky, Beatriz Olmos, Nicholas A. Besley, Elena Besley, Peter H. Beton. Substrate-induced shifts and screening in the fluorescence spectra of supramolecular adsorbed organic monolayers. The Journal of Chemical Physics. 149 [5] (2018) 054701 10.1063/1.5041418 Open Access | |
| Yoshiharu Suzuki. Experimental estimation of the location of liquid-liquid critical point for polyol aqueous solutions. The Journal of Chemical Physics. 149 [20] (2018) 204501 10.1063/1.5050832 | |
