| 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 | 209 | 2018 |
| Kinetic analysis for the multistep profiles of organic reactions: Significance of the conformational entropy on the rate constants of the claisen rearrangement Y Sumiya, Y Nagahata, T Komatsuzaki, T Taketsugu, S Maeda The Journal of Physical Chemistry A 119 (48), 11641-11649, 2015 | 54 | 2015 |
| Rate Constant Matrix Contraction Method for Systematic Analysis of Reaction Path Networks Y Sumiya, S Maeda Chemistry Letters 49 (5), 553-564, 2020 | 45 | 2020 |
| A Reaction Path Network for Wöhler's Urea Synthesis Y Sumiya, S Maeda Chemistry Letters 48 (1), 47-50, 2019 | 37 | 2019 |
| 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 | 37 | 2019 |
| Quantum chemical calculations to trace back reaction paths for the prediction of reactants Y Sumiya, Y Harabuchi, Y Nagata, S Maeda JACS Au 2 (5), 1181-1188, 2022 | 32 | 2022 |
| Ready-to-transfer two-dimensional materials using tunable adhesive force tapes M Nakatani, S Fukamachi, P Solís-Fernández, S Honda, K Kawahara, ... Nature Electronics 7 (2), 119-130, 2024 | 31 | 2024 |
| Full rate constant matrix contraction method for obtaining branching ratio of unimolecular decomposition Y Sumiya, T Taketsugu, S Maeda Journal of computational chemistry 38 (2), 101-109, 2017 | 28 | 2017 |
| 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 |
| An autocatalytic cycle in autoxidation of triethylborane R Uematsu, C Saka, Y Sumiya, T Ichino, T Taketsugu, S Maeda Chemical Communications 53 (53), 7302-7305, 2017 | 22 | 2017 |
| Palladium‐Catalyzed C− H Iodination of Arenes by Means of Sulfinyl Directing Groups H Saito, K Yamamoto, Y Sumiya, LJ Liu, K Nogi, S Maeda, H Yorimitsu Chemistry–An Asian Journal 15 (16), 2442-2446, 2020 | 21 | 2020 |
| Peel Adhesion Strength between Epoxy Resin and Hydrated Silica Surfaces: A Density Functional Theory Study Y Sumiya, Y Tsuji, K Yoshizawa ACS omega 7 (20), 17393-17400, 2022 | 14 | 2022 |
| 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 | 13 | 2023 |
| Shear adhesive strength between epoxy resin and copper surfaces: a density functional theory study Y Sumiya, Y Tsuji, K Yoshizawa Physical Chemistry Chemical Physics 24 (44), 27289-27301, 2022 | 10 | 2022 |
| GRRM17, see http://iqce. jp S Maeda, Y Harabuchi, Y Sumiya, M Takagi, K Suzuki, M Hatanaka, ... GRRM/index_e. shtml (accessed date 10 Sep., 2020), 0 | 10* | |
| Designing the Backbone of Hexasilabenzene Derivatives with a High Unimolecular Kinetic Stability Y Sumiya, S Maeda Chemistry–A European Journal 24 (47), 12264-12268, 2018 | 9 | 2018 |
| Paths of chemical reactions and their networks: from geometry optimization to automated search and systematic analysis Y Sumiya, S Maeda | 7 | 2019 |
| GRRM S Maeda, Y Harabuchi, Y Sumiya, M Takagi, K Suzuki, M Hatanaka, ... See http://iqce. jp/grrm/index_e. shtml, 2016 | 6 | 2016 |
| Elucidating the Effects of Chemisorbed Water Molecules on the Adhesive Interactions of Epoxy Resin to γ-Alumina Surfaces T Uwabe, Y Sumiya, Y Tsuji, S Nakamura, K Yoshizawa Langmuir 39 (50), 18537-18547, 2023 | 5 | 2023 |
| Automated Mechanism Discovery WMC Sameera, Y Sumiya, BB Skjelstad, S Maeda Comprehensive Computational Chemistry, First Edition: Volume 1-4, V4-454-V4-484, 2023 | 2 | 2023 |
Kazunari YoshizawaInstitute for Materials Chemistry and Engineering, Kyushu UniversityEmail verificata su ms.ifoc.kyushu-u.ac.jp
