| Implementation and performance of the artificial force induced reaction method in the GRRM17 program S Maeda, Y Harabuchi, M Takagi, K Saita, K Suzuki, T Ichino, Y Sumiya, ... Journal of Computational Chemistry 39 (4), 233-251, 2018 | 218 | 2018 |
| Artificial force induced reaction (AFIR) method for exploring quantum chemical potential energy surfaces S Maeda, Y Harabuchi, M Takagi, T Taketsugu, K Morokuma The Chemical Record 16 (5), 2232-2248, 2016 | 189 | 2016 |
| Reactivity of gold clusters in the regime of structural fluxionality M Gao, A Lyalin, M Takagi, S Maeda, T Taketsugu The Journal of Physical Chemistry C 119 (20), 11120-11130, 2015 | 56 | 2015 |
| Metal Single‐Atom Cocatalyst on Carbon Nitride for the Photocatalytic Hydrogen Evolution Reaction: Effects of Metal Species Y Akinaga, T Kawawaki, H Kameko, Y Yamazaki, K Yamazaki, ... Advanced Functional Materials 33 (33), 2303321, 2023 | 53 | 2023 |
| Understanding CO oxidation on the Pt (111) surface based on a reaction route network K Sugiyama, Y Sumiya, M Takagi, K Saita, S Maeda Physical chemistry chemical physics 21 (26), 14366-14375, 2019 | 38 | 2019 |
| Global search for low-lying crystal structures using the artificial force induced reaction method: A case study on carbon M Takagi, T Taketsugu, H Kino, Y Tateyama, K Terakura, S Maeda Physical Review B 95 (18), 184110, 2017 | 32 | 2017 |
| One-minute Joule annealing enhances the thermoelectric properties of carbon nanotube yarns via the formation of graphene at the interface M Hada, T Hasegawa, H Inoue, M Takagi, K Omoto, D Chujo, S Iemoto, ... ACS Applied Energy Materials 2 (10), 7700-7708, 2019 | 31 | 2019 |
| Global Reaction Route Mapping for Surface Adsorbed Molecules: A Case Study for H2O on Cu(111) Surface S Maeda, K Sugiyama, Y Sumiya, M Takagi, K Saita Chemistry Letters 47 (4), 396-399, 2018 | 25 | 2018 |
| One-dimensional fullerene/porphyrin cocrystals: near-infrared light sensing through component interactions T Wakahara, K Nagaoka, A Nakagawa, C Hirata, Y Matsushita, ... ACS applied materials & interfaces 12 (2), 2878-2883, 2019 | 24 | 2019 |
| Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu13 T Iwasa, T Sato, M Takagi, M Gao, A Lyalin, M Kobayashi, K Shimizu, ... The Journal of Physical Chemistry A 123 (1), 210-217, 2018 | 22 | 2018 |
| Improved activity for the oxygen evolution reaction using a tiara-like thiolate-protected nickel nanocluster S Funaki, T Kawawaki, T Okada, K Takemae, S Hossain, Y Niihori, T Naito, ... Nanoscale 15 (11), 5201-5208, 2023 | 14 | 2023 |
| Theoretical Study of the Molecular Passivation Effect of Lewis Base/Acid on Lead-Free Tin Perovskite Surface Defects T Naito, M Takagi, M Tachikawa, K Yamashita, T Shimazaki The Journal of Physical Chemistry Letters 14 (29), 6695-6701, 2023 | 12 | 2023 |
| Global search for crystal structures of carbon under high pressure M Takagi, S Maeda ACS omega 5 (29), 18142-18147, 2020 | 10 | 2020 |
| Ambipolar to unipolar irreversible switching in nanosheet transistors: the role of ferrocene in fullerene/ferrocene nanosheets D Mahdaoui, C Hirata, K Nagaoka, K Miyazawa, K Fujii, T Ando, ... Journal of Materials Chemistry C 10 (10), 3770-3774, 2022 | 7 | 2022 |
| Computational searches for crystal structures of dioxides of group 14 elements (CO 2, SiO 2, GeO 2) under ultrahigh pressure H Nabata, M Takagi, K Saita, S Maeda RSC advances 10 (37), 22156-22163, 2020 | 7 | 2020 |
| Exploring potential crossing seams in periodic systems: Intersystem crossing pathways in the benzene crystal K Saita, M Takagi, Y Harabuchi, H Okada, S Maeda The Journal of Chemical Physics 149 (7), 2018 | 7 | 2018 |
| A Systematic Study on Bond Activation Energies of NO, N2, and O2 on Hexamers of Eight Transition Metals T Ichino, M Takagi, S Maeda ChemCatChem 11 (4), 1346-1353, 2019 | 5 | 2019 |
| Ultrafine Spatial Modulation of Diazapyrene-Based Two-Dimensional Conjugated Covalent Organic Frameworks Z Li, T Tsuneyuki, RP Paitandi, T Nakazato, M Odawara, Y Tsutsui, ... Journal of the American Chemical Society 146 (33), 23497-23507, 2024 | 3 | 2024 |
| Fullerene C 70/porphyrin hybrid nanoarchitectures: single-cocrystal nanoribbons with ambipolar charge transport properties T Wakahara, K Nagaoka, C Hirata, K Miyazawa, K Fujii, Y Matsushita, ... RSC advances 12 (30), 19548-19553, 2022 | 3 | 2022 |
| Structural and Electronic Properties, Isomerization, and NO Dissociation Reactions on Au, Ag, Cu Clusters Y Kondo, R Takahara, H Mohri, M Takagi, S Maeda, T Iwasa, T Taketsugu JOURNAL OF COMPUTER CHEMISTRY-JAPAN 18 (1), 64-69, 2019 | 2 | 2019 |
Tetsuya Taketsugu北海道大学Correu electrònic verificat a sci.hokudai.ac.jp
