First principles calculations of surface dependent electronic structures: a study on β-FeOOH and γ-FeOOH Y Sakamoto, Y Noda, K Ohno, K Koike, K Fujii, TM Suzuki, T Morikawa, ... Physical Chemistry Chemical Physics 21 (34), 18486-18494, 2019 | 22 | 2019 |
Investigation of a pathway for water delivery in photosystem II protein by molecular dynamics simulation K Ogata, M Hatakeyama, Y Sakamoto, S Nakamura The Journal of Physical Chemistry B 123 (30), 6444-6452, 2019 | 12 | 2019 |
Unusual Ionic Bond and Solubility Mechanism of NanPQQ (n = 0–4) Crystals K Ikemoto, Y Sakamoto, R Tanaka, K Ogata, N Matsushita, S Nakamura Crystal Growth & Design 17 (8), 4118-4123, 2017 | 7 | 2017 |
Molecular design learned from the natural product porphyra-334: Molecular generation via chemical variational autoencoder versus database mining via similarity search, a … Y Harada, M Hatakeyama, S Maeda, Q Gao, K Koizumi, Y Sakamoto, ... ACS omega 7 (10), 8581-8590, 2022 | 6 | 2022 |
Phototunable Cell Killing by Photochromic Diarylethene of Thiazoyl and Thienyl Derivatives Y Nakagawa, T Hishida, K Sumaru, K Morishita, K Kirito, S Yokojima, ... Journal of Medicinal Chemistry 66 (8), 5937-5949, 2023 | 5 | 2023 |
White light emission generated by two stacking patterns of a single organic molecular crystal Y Nakagawa, K Kinoshita, M Kasuno, R Nishimura, M Morimoto, ... Materials Advances 3 (16), 6466-6473, 2022 | 5 | 2022 |
A study on an unusual SN 2 mechanism in the methylation of benzyne through nickel-complexation M Hatakeyama, Y Sakamoto, K Ogata, Y Sumida, T Sumida, T Hosoya, ... Physical Chemistry Chemical Physics 19 (39), 26926-26933, 2017 | 5 | 2017 |
Chemical Insights from Theoretical Electronic States in Nickel Hydroxide and Monolayer Surface Model Y Sakamoto, Y Noda, K Ohno, S Nakamura The Journal of Physical Chemistry C 121 (44), 24603-24611, 2017 | 4 | 2017 |
Autopolymerization of 2-bromo-3-methoxythiophene, analysis of reaction products and estimation of polymer structure R Nishimura, Y Hattori, M Akazawa, J Kitai, S Okude, Y Sakamoto, ... Polymer Journal 53 (3), 429-438, 2021 | 1 | 2021 |
An architecture for collaboration in systems biology at the age of the Metaverse E Jacopin, Y Sakamoto, K Nishida, K Kaizu, K Takahashi NPJ Systems Biology and Applications 10 (1), 12, 2024 | | 2024 |
Position Dependent Dielectric Function Near the Cu Surface Y Sakamoto, K Fujii, S Nakamura, K Ohno Journal of the Physical Society of Japan 91 (11), 113703, 2022 | | 2022 |
A Theoretical Study on Non‐Bridging Dimer Formation of a Cationic Platinum Complex with a Redox‐Active Ligand Y Sakamoto, S Kikkawa, S Yokojima, N Matsushita, S Nakamura ChemistrySelect 7 (1), e202103827, 2022 | | 2022 |
Spontaneous Combustion of 2-Bromo-3-Methoxythiophene: A Study on Reaction Pathways and Energetics by Quantum Chemical Calculations S Okude, K Koizumi, Y Sakamoto, M Hatakeyama, M Wakabayashi, ... The Journal of Physical Chemistry A 125 (25), 5615-5625, 2021 | | 2021 |
C-13-NMR Measurement of Pyrroloquinoline Quinone in Deuterium Oxide Using Cryo-probe and Spectral Identification by the Quantum Chemical Calculation K Ikemoto, Y Sakamoto, K Horiguchi, S Nakamura BUNSEKI KAGAKU 67 (4), 195-199, 2018 | | 2018 |