フォロー
Yosuke Sumiya
Yosuke Sumiya
確認したメール アドレス: m.kyushu-u.ac.jp - ホームページ
タイトル
引用先
引用先
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
1822018
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
442015
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
342019
Rate Constant Matrix Contraction Method for Systematic Analysis of Reaction Path Networks
Y Sumiya, S Maeda
Chemistry Letters 49 (5), 553-564, 2020
332020
A Reaction Path Network for Wöhler's Urea Synthesis
Y Sumiya, S Maeda
Chemistry Letters 48 (1), 47-50, 2019
312019
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
242017
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
232022
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
232018
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
202020
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
202017
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
92018
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
82022
Paths of chemical reactions and their networks: from geometry optimization to automated search and systematic analysis
Y Sumiya, S Maeda
Chemical Modelling 15, 28-69, 2019
72019
GRRM
S Maeda, Y Harabuchi, Y Sumiya, M Takagi, K Suzuki, M Hatanaka, ...
See http://iqce. jp/grrm/index_e. shtml, 2016
62016
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
42023
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
32022
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
12023
Automated Mechanism Discovery
WMC Sameera, Y Sumiya, BB Skjelstad, S Maeda
Elsevier, 2022
12022
Understanding the Acetalization Reaction Based on its Reaction Path Network
Y Sumiya, Y Tabata, S Maeda
ChemSystemsChem 2 (1), e1900022, 2020
12020
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論文 1–20